diff --git a/README_CONTRIBUTING.md b/README_CONTRIBUTING.md index 680804338a304f81238f306fec456602448f71c2..5dadf1b31c8d78f84e8f737d8df9414d0692e0ec 100644 --- a/README_CONTRIBUTING.md +++ b/README_CONTRIBUTING.md @@ -121,10 +121,10 @@ git push --force origin master ## 1、使用安装HPCKIT的方式替代单独安装HMPI、BISHENG以及数学库 建议使用如下方式安装并使能hpckit ``` -./jarvis -install package/hpckit/24.0.0/ any +./jarvis -install hpckit/${HPCKIT_VERSION} any module use software/utils/hpckit/224.0.0/HPCKit/24.0.0/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi ``` 不建议使用如下方式 ``` diff --git a/data.config b/data.config index de50f21c902cc507e7fa284557b40db736b07045..e31c77a198fd39b20e6f6e0f1fe661fc1ac4680d 100644 --- a/data.config +++ b/data.config @@ -17,9 +17,9 @@ tar -xzvf ${JARVIS_DOWNLOAD}/qe-6.4.1.tar.gz [ENV] module purge -module use ./software/modulefiles -module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule -module load hpckit${HMPI_VERSION}/bisheng/hmpi${HMPI_VERSION}/release +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [APP] app_name = QE diff --git a/init.sh b/init.sh index 0cfe1c77f16f8c1343720d7728a8bfb159d838a8..6f6ec3e4acf36c3906897b2aa230b06f4563327e 100644 --- a/init.sh +++ b/init.sh @@ -43,6 +43,8 @@ fi #判断hpckit使用版本 if [ ${UseLatest} -eq 0 ];then HPCKIT_VERSION=25.1.0 + BISHENG_VERSION=4.1.0 + HMPI_VERSION=25.1.0 elif [ ${UseLatest} -eq 1 ];then HPCKIT_VERSION=latest else @@ -50,8 +52,16 @@ else exit 1 fi -BISHENG_VERSION=`ls software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles/bisheng|grep compiler|awk -F "compiler" '{print $2}'` -HMPI_VERSION=`ls software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles/bisheng|grep hmpi|awk -F "hmpi" '{print $2}'` +#判断hpckit是否安装,更新配套版本 +file_path="software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles/bisheng" +if [ -e "$file_path" ]; then + echo -e "你正在使用 $HPCKIT_VERSION 版本的 HPCKKit" + BISHENG_VERSION=`ls $$file_path|grep compiler|awk -F "compiler" '{print $2}'` + HMPI_VERSION=`ls $$file_path|grep hmpi|awk -F "hmpi" '{print $2}'` +else + echo -e "INFO: 检测到 $HPCKIT_VERSION 版本的 HPCKKit 未进行安装,请继续执行\n" +fi + #Install modules if ! type module >/dev/null 2>&1;then diff --git a/package/hpckit/meta.sh b/package/hpckit/meta.sh index 2b7d74bed3e3d9ffbab9e258757ed752036b3ed1..3e35f1af42b16361cf750e0e769e78767b5222a0 100644 --- a/package/hpckit/meta.sh +++ b/package/hpckit/meta.sh @@ -22,4 +22,10 @@ if [ ! -d ${software_path}/modulefiles/hpckit${hpckit_ver} ];then done fi -echo -e "HPCKit has installed in your environment." \ No newline at end of file +export HPCKit_Version=${hpckit_ver} +file_path="software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles/bisheng" +export BISHENG_VERSION=`ls $$file_path|grep compiler|awk -F "compiler" '{print $2}'` +export HMPI_VERSION=`ls $$file_path|grep hmpi|awk -F "hmpi" '{print $2}'` + +echo -e "HPCKit has installed in your environment." +echo -e "你正在使用 $HPCKIT_VERSION 版本的 HPCKKit" \ No newline at end of file diff --git a/templates/ARPS/5.3.4/data.arps.arm.cpu.sve.config b/templates/ARPS/5.3.4/data.arps.arm.cpu.sve.config index 4464dc5ff2251a7a839f8efd3dd1cbfae8add742..cc4d3b69d3809d638fb622a19fd3cbdc327d6eea 100644 --- a/templates/ARPS/5.3.4/data.arps.arm.cpu.sve.config +++ b/templates/ARPS/5.3.4/data.arps.arm.cpu.sve.config @@ -9,11 +9,11 @@ set -e yum install -y tcsh libjpeg-turbo-devel export LIBJPEG_PATH=/usr module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} ./jarvis -install hdf4/4.2.15/bisheng bisheng+mpi tar -zxvf ${JARVIS_DOWNLOAD}/arps5.3.4.tar.gz -C ${JARVIS_TMP_DOWNLOAD} @@ -22,10 +22,10 @@ mkdir -p ${JARVIS_ROOT}/software/app/arps [ENV] export LIBJPEG_PATH=/usr module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 -export HDFPATH=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/hdf4-bisheng/4.2.15 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +export HDFPATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/hdf4-bisheng/4.2.15 [APP] app_name = ARPS diff --git a/templates/BLAS-TESTER/dgemm.arm.config b/templates/BLAS-TESTER/dgemm.arm.config index 73cbebef134064f4a6cff0ad344eaf1e0b45ba76..ef2d063f917e07b80093b883d6d8b41d3984d8f4 100644 --- a/templates/BLAS-TESTER/dgemm.arm.config +++ b/templates/BLAS-TESTER/dgemm.arm.config @@ -33,7 +33,7 @@ export OMP_NUM_THREADS=1 export LD_LIBRARY_PATH=$KML_GCC_PATH/lib/kblas/omp:$LD_LIBRARY_PATH [BUILD] -make ARCH=ARM64 L2SIZE=524288 TEST_BLAS=$JARVIS_ROOT/software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/gcc/lib/neon/kblas/multi/libkblas.so +make ARCH=ARM64 L2SIZE=524288 TEST_BLAS=$JARVIS_ROOT/software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/gcc/lib/${kp}/kblas/multi/libkblas.so [CLEAN] make clean diff --git a/templates/CESM/2.1.5/data.cesm.arm.cpu.sve.config b/templates/CESM/2.1.5/data.cesm.arm.cpu.sve.config index 7935d3e0ecfc6344bc8bf0ed10a6a7ee3215d135..a14eb5c250e3c42a04d1ccca27f4b69df8b8bd2b 100644 --- a/templates/CESM/2.1.5/data.cesm.arm.cpu.sve.config +++ b/templates/CESM/2.1.5/data.cesm.arm.cpu.sve.config @@ -9,10 +9,10 @@ set -x set -e . $CHECK_ROOT && yum install -y perl-XML-LibXML -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=clang CXX=clang++ FC=flang ./jarvis -install openblas/0.3.18 clang @@ -21,7 +21,7 @@ export CC=clang CXX=clang++ FC=flang export CC=mpicc FC=mpifort CXX=mpicxx ./jarvis -install package/hdf5/1.12.0/clang bisheng+mpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 ./jarvis -install package/pnetcdf/1.11.2 bisheng+mpi module load pnetcdf/1.11.2 @@ -32,17 +32,17 @@ module load bisheng/kml2.5.0/kml bisheng/kml2.5.0/kblas/pthread [ENV] module purge -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 module load pnetcdf/1.11.2 module load netcdf-clang/4.7.4 module load bisheng/kml2.5.0/kml bisheng/kml2.5.0/kblas/pthread export NETCDF_PATH=${NETCDF_CLANG_PATH} -export CESM_PATH=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/CESM-release-cesm2.1.5 +export CESM_PATH=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/CESM-release-cesm2.1.5 export CIMEROOT=$CESM_PATH/cime export PYTHONPATH=$CIMEROOT/scripts/lib:$CIMEROOT/scripts/Tools:$PYTHONPATH export case_name=mycase @@ -56,9 +56,9 @@ case_dir = $CESM_PATH/ [BUILD] set -e set -x -mkdir -p $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/CESM-release-cesm2.1.5 -tar -xvf ${JARVIS_DOWNLOAD}/release-cesm2.1.5.tar.gz --strip-components 1 -C $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/CESM-release-cesm2.1.5 -cd $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/CESM-release-cesm2.1.5 +mkdir -p $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/CESM-release-cesm2.1.5 +tar -xvf ${JARVIS_DOWNLOAD}/release-cesm2.1.5.tar.gz --strip-components 1 -C $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/CESM-release-cesm2.1.5 +cd $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/CESM-release-cesm2.1.5 ./manage_externals/checkout_externals ./manage_externals/checkout_externals -S @@ -70,10 +70,10 @@ sed -i '466s|.*| openmpi |' cime/config/cesm/machines/confi sed -i "469,474s|\$ENV%{HOME}|$TEST_DIR|g" cime/config/cesm/machines/config_machines.xml -export module_line1=" ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles" -export module_line2=" bisheng/compiler4.1.0/bishengmodule" -export module_line3=" bisheng/hmpi2.4.3/hmpi" -export module_line4=" /home/drh/hpcrunner-bak/software/moduledeps/bisheng4.1.0-hmpi2.4.3" +export module_line1=" ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles" +export module_line2=" bisheng/compiler${BISHENG_VERSION}/bishengmodule" +export module_line3=" bisheng/hmpi${HMPI_VERSION}/hmpi" +export module_line4=" /home/drh/hpcrunner-bak/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}" export module_line5=" hdf5-clang/1.12.0" export module_line6=" pnetcdf/1.11.2 " export module_line7=" netcdf-clang/4.7.4 " diff --git a/templates/CP2K/2023.2/data.CP2K.gcc.cpu.config b/templates/CP2K/2023.2/data.CP2K.gcc.cpu.config index 3abbf06c9c3d637490992715394402c2304082fb..cf55868befb3a8aacaffd296108eee95ce9b333e 100644 --- a/templates/CP2K/2023.2/data.CP2K.gcc.cpu.config +++ b/templates/CP2K/2023.2/data.CP2K.gcc.cpu.config @@ -27,8 +27,10 @@ Tiled-MM/v2.2 https://www.cp2k.org/static/downloads/Tiled-MM-v2.2.tar.gz [DEPENDENCY] module purge -./jarvis -install package/hpckit/24.0.0 any -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any + + +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module load gcc/compiler12.3.1/gccmodule module load gcc/hmpi2.4.3/hmpi module load gcc/kml2.5.0/kml @@ -37,7 +39,7 @@ module load gcc/kml2.5.0/kblas/omp [ENV] module purge -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module load gcc/compiler12.3.1/gccmodule module load gcc/hmpi2.4.3/hmpi module load gcc/kml2.5.0/kml @@ -101,8 +103,8 @@ cp ${JARVIS_ROOT}/cp2k-2023.2/tools/toolchain/install/arch/* ${JARVIS_ROOT}/cp2k cd ${JARVIS_ROOT}/cp2k-2023.2 source tools/toolchain/install/setup sed -i "s%-g%%g" arch/local.psmp -sed -i "s%PROFOPT)%PROFOPT) -L${JARVIS_ROOT}/cp2k-2023.2/tools/toolchain/install/fftw-3.3.10/lib -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/sve -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/noarch -lkm -lkm_l9 -lklapack_full -lkscalapack_full -lkfft -lkfft_omp -lkfft_omp_mpi -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/sve/kblas/omp -lkblas%g" arch/local.psmp -sed -i "s%\$(FCFLAGS)%\$(FCFLAGS) -L${JARVIS_ROOT}/cp2k-2023.2/tools/toolchain/install/fftw-3.3.10/lib -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/sve -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/noarch -lkm -lkm_l9 -lklapack_full -lkscalapack_full -lkfft -lkfft_omp -lkfft_omp_mpi -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/kml/gcc/lib/sve/kblas/omp -lkblas%g" arch/local.psmp +sed -i "s%PROFOPT)%PROFOPT) -L${JARVIS_ROOT}/cp2k-2023.2/tools/toolchain/install/fftw-3.3.10/lib -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/sve -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/noarch -lkm -lkm_l9 -lklapack_full -lkscalapack_full -lkfft -lkfft_omp -lkfft_omp_mpi -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp}/kblas/omp -lkblas%g" arch/local.psmp +sed -i "s%\$(FCFLAGS)%\$(FCFLAGS) -L${JARVIS_ROOT}/cp2k-2023.2/tools/toolchain/install/fftw-3.3.10/lib -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/sve -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/noarch -lkm -lkm_l9 -lklapack_full -lkscalapack_full -lkfft -lkfft_omp -lkfft_omp_mpi -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp}/kblas/omp -lkblas%g" arch/local.psmp make -j 128 ARCH=local VERSION=psmp [CLEAN] diff --git a/templates/FastTree/2.1.11/data.fasttree.arm.cpu.config b/templates/FastTree/2.1.11/data.fasttree.arm.cpu.config index 2b9e79694981c94d899b4ecd6f61c745c16e87ea..1d2994e47b31d9c69e5e79163ea9db4eedca2021 100644 --- a/templates/FastTree/2.1.11/data.fasttree.arm.cpu.config +++ b/templates/FastTree/2.1.11/data.fasttree.arm.cpu.config @@ -12,9 +12,10 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -39,8 +40,9 @@ gzip -dk all.masked.gz set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/MITGCM/c67o/data.MITGCM.arm.bs-sve.cpu.config b/templates/MITGCM/c67o/data.MITGCM.arm.bs-sve.cpu.config index 57c844102a1bc6ba0e5b0b73d5a7066ca0360c26..acd7053ac74c86b13b71178983b5be9111d5e291 100644 --- a/templates/MITGCM/c67o/data.MITGCM.arm.bs-sve.cpu.config +++ b/templates/MITGCM/c67o/data.MITGCM.arm.bs-sve.cpu.config @@ -7,18 +7,18 @@ MITgcm/c67o http://mitgcm.org/download/other_checkpoints/MITgcm_c67o.tar.gz [DEPENDENCY] yum install -y make module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 + export CC=mpicc CXX=mpicxx FC=mpifort ./jarvis -install hdf5/1.10.1/clang clang+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hdf5-clang/1.10.1 ./jarvis -install pnetcdf/1.12.3 clang+mpi module load pnetcdf/1.12.3 @@ -27,15 +27,16 @@ module load netcdf-clang/4.7.4 [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hdf5-clang/1.10.1 module load pnetcdf/1.12.3 module load netcdf-clang/4.7.4 diff --git a/templates/PWDFT/master/pwdft.arm.bisheng.hmpi.config b/templates/PWDFT/master/pwdft.arm.bisheng.hmpi.config index db8fe22a56989562786000e9c0ecace9872996ef..cf160252402cc2b5e584dfa4f4b7474cf0529a8f 100644 --- a/templates/PWDFT/master/pwdft.arm.bisheng.hmpi.config +++ b/templates/PWDFT/master/pwdft.arm.bisheng.hmpi.config @@ -6,20 +6,19 @@ PWDFT/master ${JARVIS_PROXY}/ebylaska/PWDFT/archive/refs/heads/master.zip PWDFT- [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} mkdir -p ${JARVIS_ROOT}/software/apps/pwdft/bin unzip ${JARVIS_DOWNLOAD}/PWDFT-master.zip -d ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [APP] app_name = pwdft diff --git a/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.config b/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.config index a8f1c9eaf46f458c9a2999ff4e9df7b550c70ffe..d0aec63a3941f45eeafe4051dc31459b646726b1 100644 --- a/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.config +++ b/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.config @@ -11,9 +11,10 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -22,7 +23,7 @@ export FC=`which flang` module load cmake/3.28.2 ./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 echo "Check the source code" @@ -37,13 +38,14 @@ tar -xvzf ${JARVIS_DOWNLOAD}/parafem.5.0.3.tar.gz set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 diff --git a/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.hpckit.config b/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.hpckit.config index fecc1068e17b4cbf3c80c09edbb5d026bfb56fef..762ca40426cb99b2590bd488975533caaae1d834 100644 --- a/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.hpckit.config +++ b/templates/ParaFEM/5.0.3/data.parafem.arm.cpu.hpckit.config @@ -11,14 +11,14 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/hmpi${HMPI_VERSION}/hmpi echo "Check the source code" if [ -d parafem ];then @@ -32,13 +32,13 @@ tar -xvzf ${JARVIS_DOWNLOAD}/parafem.5.0.3.tar.gz set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/hmpi${HMPI_VERSION}/hmpi [APP] diff --git a/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config b/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config index 5cb275ab64d83d9a87ecc4516856199afac2a6c4..e91cc5dddaa9c65a552c68a485aabb56914d93d4 100644 --- a/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config +++ b/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config @@ -6,9 +6,10 @@ PyRosetta4/py39 https://graylab.jhu.edu/download/PyRosetta4/archive/release/PyRo [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 @@ -17,8 +18,9 @@ mv ${JARVIS_TMP_DOWNLOAD}/PyRosetta4.Release.python39.aarch64.release-342 ${JARV [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 [APP] diff --git a/templates/RSEM/1.3.3/data.rsem.arm.cpu.config b/templates/RSEM/1.3.3/data.rsem.arm.cpu.config index 23c4506bf3efa80786f1a773940bce66f92d5b42..91fb4404e8140b2078fc8bbf8eae822c6862ea79 100644 --- a/templates/RSEM/1.3.3/data.rsem.arm.cpu.config +++ b/templates/RSEM/1.3.3/data.rsem.arm.cpu.config @@ -13,9 +13,11 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -51,8 +53,9 @@ fi set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/RSEM/1.3.3/data.rsem.arm.cpu.hpckit.config b/templates/RSEM/1.3.3/data.rsem.arm.cpu.hpckit.config index 0de5131739f17d4ae209b666ea7e988a9ff68b98..774d32631e9acc9a4b976c2a82e76449f85754fa 100644 --- a/templates/RSEM/1.3.3/data.rsem.arm.cpu.hpckit.config +++ b/templates/RSEM/1.3.3/data.rsem.arm.cpu.hpckit.config @@ -13,8 +13,8 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -50,8 +50,8 @@ fi set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/Seurat/5.1.0/seurat.arm.bisheng.hmpi.R.config b/templates/Seurat/5.1.0/seurat.arm.bisheng.hmpi.R.config index 8feaa91e10ea80efac4eb12b32ab3ecab8602506..ef3749dffceff16a89b842938b5bef275311c882 100644 --- a/templates/Seurat/5.1.0/seurat.arm.bisheng.hmpi.R.config +++ b/templates/Seurat/5.1.0/seurat.arm.bisheng.hmpi.R.config @@ -6,11 +6,12 @@ Seurat/5.1.0 https://cran.r-project.org/src/contrib/Archive/Seurat/Seurat_5.1.0. [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 + +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + ./jarvis -install libpng/1.6.37 bisheng+mpi module load libpng/1.6.37 ./jarvis -install R/4.4.3 bisheng+mpi @@ -20,9 +21,11 @@ tar -zxvf ${JARVIS_DOWNLOAD}/Seurat_5.1.0.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 module load libpng/1.6.37 module load R/4.4.3 diff --git a/templates/abyss/2.2.4/data.abyss.arm.cpu.bisheng.hmpi.config b/templates/abyss/2.2.4/data.abyss.arm.cpu.bisheng.hmpi.config index 0363a04a1736145b0c2f28fbb524499fca8683c1..07e8365b70e5431918decfa7088e6fd55b534773 100644 --- a/templates/abyss/2.2.4/data.abyss.arm.cpu.bisheng.hmpi.config +++ b/templates/abyss/2.2.4/data.abyss.arm.cpu.bisheng.hmpi.config @@ -9,16 +9,19 @@ test-data https://www.bcgsc.ca/platform/bioinfo/software/abyss/releases/1.3.4/te set -e set -x yum install -y vim tar git wget automake autoconf libtool make cmake -./jarvis -install bisheng/4.1.0 com -module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} + ./jarvis -install boost/1.72.0/clang bisheng module load boost-clang/1.72.0 yum install libomp -y @@ -27,15 +30,15 @@ mkdir -p ABYSS tar xvf ${JARVIS_DOWNLOAD}/test-data.tar.gz [ENV] -module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load boost-clang/1.72.0 [APP] diff --git a/templates/acessiii/acesiii.arm.bisheng.hpckit.config b/templates/acessiii/acesiii.arm.bisheng.hpckit.config index bc62c40a5fa4bf5b4cfaaef59f51bacaadb43d0f..4b3965fdef88cd80502e84b615f7bcdfda6c3010 100644 --- a/templates/acessiii/acesiii.arm.bisheng.hpckit.config +++ b/templates/acessiii/acesiii.arm.bisheng.hpckit.config @@ -8,9 +8,9 @@ acesiii/master ${JARVIS_PROXY}/madbosun/acesiii/archive/refs/heads/master.zip ac module purge ./jarvis -install hpckit/${HPCKIT_VERSION} any -module use ./software/modulefiles -module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule -module load hpckit${HMPI_VERSION}/bisheng/hmpi${HMPI_VERSION}/release +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} module load bisheng/kml${HMPI_VERSION}/kml module unload bisheng/kml${HMPI_VERSION}/kspblas/omp module unload bisheng/kml${HMPI_VERSION}/kvml/serial @@ -20,9 +20,9 @@ unzip ${JARVIS_DOWNLOAD}/acesiii-master.zip -d ${JARVIS_ROOT}/software/apps/ [ENV] module purge -module use ./software/modulefiles -module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule -module load hpckit${HMPI_VERSION}/bisheng/hmpi${HMPI_VERSION}/release +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} module load bisheng/kml${HMPI_VERSION}/kml module unload bisheng/kml${HMPI_VERSION}/kspblas/omp module unload bisheng/kml${HMPI_VERSION}/kvml/serial @@ -38,8 +38,8 @@ sed -i 's/mktemp/mkstemp/' src/sia/sip/sip_instructions/generate_scratch_filenam sed -i 's/SERIAL_CPP="g++"/SERIAL_CPP=mpicxx/g' configure ./configure FCFLAGS="-D__fortran -D__fortran77 -fPIC -DMPIF2C -DMPI2 -ffast-math -march=armv8-a -mtune=tsv110 -std=f77" CFLAGS="-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -DMPI2 -Wno-return-type -Wno-int-conversion" CXXFLAGS="-DMPIF2C -DC_SUFFIX -DCB_SUFFIX -DMPI2" CC=mpicc CXX=mpicxx FC=mpifort sed -i '21s/^\(\s*\).*/\1SIAL_COMPILER_LIBS= -lstdc++ -lsip1 -lsip2 -lsial -lsip_shared -lframelib -laces2 -lgeopt -lsymcor -laces2 -lerd -loed -ldup -lsip1 -lsip2 $(LIBS) -lflang -lflangmain/' src/sial_compiler/compiler/Makefile -sed -i '24c LIB_DIRS:=-L../../../lib $(LIB_DIRS) -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/compiler/bisheng/lib' src/sial_compiler/compiler/Makefile -sed -i '16c LIBS:= -lstdc++ -lsip1 -lsip2 -lsialinst -lsip_shared -lframelib -laces2 -lgeopt -lsymcor -laces2 -lprop_ints -lerd -loed -lecp -ldup -lsip1 -lsip2 -lsialinst -lsip1 -lsip2 $(LIBS) -lflang -lflangmain -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/latest/compiler/bisheng/lib -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.0.0/kml/bisheng/lib/${kp} -L${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.0.0/kml/bisheng/lib/${kp}/kblas/pthread -lklapack_full -lkblas' src/main/Makefile +sed -i '24c LIB_DIRS:=-L../../../lib $(LIB_DIRS) -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/compiler/bisheng/lib' src/sial_compiler/compiler/Makefile +sed -i '16c LIBS:= -lstdc++ -lsip1 -lsip2 -lsialinst -lsip_shared -lframelib -laces2 -lgeopt -lsymcor -laces2 -lprop_ints -lerd -loed -lecp -ldup -lsip1 -lsip2 -lsialinst -lsip1 -lsip2 $(LIBS) -lflang -lflangmain -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/compiler/bisheng/lib -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/kml/bisheng/lib/${kp} -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/kml/bisheng/lib/${kp}/kblas/pthread -lklapack_full -lkblas' src/main/Makefile make [CLEAN] diff --git a/templates/alphafold2/1.0/data.alphafold2.cpu.config b/templates/alphafold2/1.0/data.alphafold2.cpu.config index ff6e4e631215dd8971ebd42e5338e5d5dba238f5..6225cc792378f0bd25a8de4ea18fe812fac12462 100644 --- a/templates/alphafold2/1.0/data.alphafold2.cpu.config +++ b/templates/alphafold2/1.0/data.alphafold2.cpu.config @@ -23,7 +23,7 @@ module use ${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles module add gcc/compiler12.3.1/gccmodule module add gcc/kml25.0.0/kml source ${JARVIS_ROOT}/software/utils/anaconda3/2024.10/etc/profile.d/conda.sh -export KML_LIB=$JARVIS_UTILS/hpckit/25.0.0/HPCKit/25.0.0/kml/gcc/lib/sve/kblas/multi +export KML_LIB=$JARVIS_UTILS/hpckit/25.0.0/HPCKit/25.0.0/kml/gcc/lib/${kp}/kblas/multi [APP] app_name = alphafold2 diff --git a/templates/amg/1.2/data.amg-sve.arm.cpu.config b/templates/amg/1.2/data.amg-sve.arm.cpu.config index db70110c995beaab3d3583df0c931fced5bc4c55..15424193a3460ccd3814f0668774f38c814dd120 100644 --- a/templates/amg/1.2/data.amg-sve.arm.cpu.config +++ b/templates/amg/1.2/data.amg-sve.arm.cpu.config @@ -7,17 +7,16 @@ [DEPENDENCY] set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.1 bisheng -module load hmpi/2.4.1 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [ENV] -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.1 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [APP] app_name = amg diff --git a/templates/amg/1.2/data.amg.arm.cpu.config b/templates/amg/1.2/data.amg.arm.cpu.config index 49fadabc40d31ab88fd5ffa2d8c9c15afd3f32f7..4389b6591757f78c8ab0a3c84069548301cedc2c 100644 --- a/templates/amg/1.2/data.amg.arm.cpu.config +++ b/templates/amg/1.2/data.amg.arm.cpu.config @@ -8,17 +8,17 @@ amg/1.2 https://github.com/LLNL/AMG/archive/refs/tags/1.2.zip 1.2.zip [DEPENDENCY] set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.1 bisheng -module load hmpi/2.4.1 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [ENV] -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.1 +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [APP] app_name = amg @@ -33,13 +33,13 @@ cd AMG-1.2 sed -i "46c INCLUDE_CFLAGS = -O2 -Wno-implicit-function-declaration -Wno-implicit-int -DTIMER_USE_MPI -DHYPRE_USING_OPENMP -fopenmp -DHYPRE_HOPSCOTCH -DHYPRE_USING_PERSISTENT_COMM -DHYPRE_BIGINT" Makefile.include make -j -mkdir ${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.1/amg/1.2/bin -p -cp ./test/* ${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.1/amg/1.2/bin +mkdir ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/amg/1.2/bin -p +cp ./test/* ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/amg/1.2/bin -mkdir ${JARVIS_MODULEDEPS}/bisheng4.1.0-hmpi2.4.1/amg -p -cat > ${JARVIS_MODULEDEPS}/bisheng4.1.0-hmpi2.4.1/amg/1.2 << EOF +mkdir ${JARVIS_MODULEDEPS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/amg -p +cat > ${JARVIS_MODULEDEPS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/amg/1.2 << EOF #%Module1.0 -set prefix ${JARVIS_ROOT}/software/libs/bisheng4.1.0/hmpi2.4.1/amg/1.2 +set prefix ${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/amg/1.2 set version 1.2 setenv AMG_PATH \$prefix prepend-path PATH \$prefix/bin diff --git a/templates/bcftools/1.10.2/data.bcftools.arm.cpu.config b/templates/bcftools/1.10.2/data.bcftools.arm.cpu.config index 29fbb1332ac05d409ef7ad906e9ea9d82fa413c2..63fbac47859121d888833d4b34df73ae586e185a 100644 --- a/templates/bcftools/1.10.2/data.bcftools.arm.cpu.config +++ b/templates/bcftools/1.10.2/data.bcftools.arm.cpu.config @@ -13,9 +13,11 @@ module purge yum install bzip2 bzip2-devel xz-devel -y -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -33,8 +35,9 @@ mkdir -p bcftools-1.10.2/Install set -e set -x module purge -module use software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/bcftools/1.10.2/data.bcftools.arm.cpu.hpckit.config b/templates/bcftools/1.10.2/data.bcftools.arm.cpu.hpckit.config index 9e85a19d58719169e6b48b21d2bcceccf8656a57..906cd93df58782e7ac726c7112080143a42b8330 100644 --- a/templates/bcftools/1.10.2/data.bcftools.arm.cpu.hpckit.config +++ b/templates/bcftools/1.10.2/data.bcftools.arm.cpu.hpckit.config @@ -13,8 +13,8 @@ module purge yum install bzip2 bzip2-devel xz-devel -y -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -32,7 +32,7 @@ mkdir -p bcftools-1.10.2/Install set -e set -x module purge -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force +source software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/setvars.sh --use-bisheng --force export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config b/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config index fffc4736b2cc7be0738975265e91b4ccddfe24cd..28b26867811a1691e132b904c8c7aade4e4488ea 100644 --- a/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config +++ b/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config @@ -67,10 +67,10 @@ C_LINK = mpicxx C_OPTS = -O3 C_DEBUGFLAG = REMOVE = /bin/rm -f -FFTWLIB = \${JARVIS_LIBS}/bisheng4.1.0/fftw/3.3.8/lib/libfftw3.a -FFTWINCLUDE = \${JARVIS_LIBS}/bisheng4.1.0/fftw/3.3.8/include -LAPACKLIB = -L\${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/${kp} -lklapack_full -L\${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/${kp}/kblas/pthread -lkblas -SCALAPACKLIB = -L\${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/${kp} -lkscalapack_full \$(LAPACKLIB) +FFTWLIB = \${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8/lib/libfftw3.a +FFTWINCLUDE = \${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8/include +LAPACKLIB = -L\${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp} -lklapack_full -L\${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp}/kblas/pthread -lkblas +SCALAPACKLIB = -L\${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp} -lkscalapack_full \$(LAPACKLIB) TESTSCRIPT = make check-parallel EOF diff --git a/templates/bowtie2/2.4.1/data.bowtie2.arm.cpu.config b/templates/bowtie2/2.4.1/data.bowtie2.arm.cpu.config index de178c6e2c83dcbe70c2482953ff7c88848cdade..e8734bc4acd69816660bfbd4b6ef99e7f803f3e3 100644 --- a/templates/bowtie2/2.4.1/data.bowtie2.arm.cpu.config +++ b/templates/bowtie2/2.4.1/data.bowtie2.arm.cpu.config @@ -9,14 +9,14 @@ case2 http://hgdownload.cse.ucsc.edu/goldenPath/mm10/bigZips/chromFa.tar.gz set -e set -x module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule mkdir -p ${JARVIS_ROOT}/case [APP] @@ -54,7 +54,7 @@ LOG_FILE="bowtie2-performance.log" #DSUB -eo bowtie2.$J.err module use software/moduledeps -module add bisheng4.1.0/bowtie2/2.4.1 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/bowtie2/2.4.1 #生成算例 cd ${JARVIS_ROOT}/case diff --git a/templates/brpc/1.9.0/data.brpc.arm-920.cpu.config b/templates/brpc/1.9.0/data.brpc.arm-920.cpu.config index 1de61e8352b92a466fba61b8d2d5544b31d94d6c..8f2fbd1ae210cdc42312affeb7958fa6b85b3e20 100644 --- a/templates/brpc/1.9.0/data.brpc.arm-920.cpu.config +++ b/templates/brpc/1.9.0/data.brpc.arm-920.cpu.config @@ -11,18 +11,20 @@ set -x yum install protobuf-compiler protobuf-devel gflags-devel leveldb-devel make cmake gcc g++ openssl openssl-devel -y -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + CUR_PATH=$(pwd) export JARVIS_ROOT=${CUR_PATH} diff --git a/templates/bwa/0.7.17/data.bwa.arm.cpu.config b/templates/bwa/0.7.17/data.bwa.arm.cpu.config index f5b6bb4480f8a9a8a3ab0466f7d684a2c293394f..edba1121be952cce90ece76cc5aa41df6ae9b045 100644 --- a/templates/bwa/0.7.17/data.bwa.arm.cpu.config +++ b/templates/bwa/0.7.17/data.bwa.arm.cpu.config @@ -12,14 +12,14 @@ SSE2NONE.h/1.0 https://raw.githubusercontent.com/jratcliff63367/sse2neon/refs/he set -e set -x module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule export PATH=$JARVIS_ROOT/software/apps/bisheng/bwa/0.7.17:$PATH mkdir -p ${JARVIS_ROOT}/case diff --git a/templates/cactus/2.9.2/cactus.arm.py39.config b/templates/cactus/2.9.2/cactus.arm.py39.config index f5af732482378b6891e0451d06fda26233e70c65..0875b0ebfdeeca99ce248c8ff4cd7f1585a5bab9 100644 --- a/templates/cactus/2.9.2/cactus.arm.py39.config +++ b/templates/cactus/2.9.2/cactus.arm.py39.config @@ -8,9 +8,11 @@ mPanPan1_XY_1_5000000/ https://raw.githubusercontent.com/ComparativeGenomicsTool [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 + +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 ./jarvis -install hmpi/2.4.2 bisheng @@ -27,8 +29,8 @@ mkdir -p ${JARVIS_ROOT}/software/apps/cactus/bin [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module load python3/3.9.9 module load hmpi/2.4.2 module load hdf5-clang/1.12.1 diff --git a/templates/canu/1.8/canu.arm.bisheng.hmpi.config b/templates/canu/1.8/canu.arm.bisheng.hmpi.config index 0517c076b52274c3df072732c83899089460d3cc..1204084b9997ea780c5b2cc72c18eab760030855 100644 --- a/templates/canu/1.8/canu.arm.bisheng.hmpi.config +++ b/templates/canu/1.8/canu.arm.bisheng.hmpi.config @@ -6,11 +6,10 @@ canu/1.8 ${JARVIS_PROXY}/marbl/canu/archive/refs/tags/v1.8.tar.gz canu-1.8.tar.g [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} ./jarvis -install boost/1.72.0/clang bisheng+mpi module load boost-clang/1.72.0 @@ -19,9 +18,9 @@ mkdir -p ${JARVIS_ROOT}/software/apps/canu [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} module load boost-clang/1.72.0 [APP] @@ -35,7 +34,7 @@ sed -i '383c \ \ CXXFLAGS += -D_GLIBCXX_PARALLEL -pthread -fopenmp -fPIC -stdli sed -i '384c \ \ LDFLAGS += -D_GLIBCXX_PARALLEL -pthread -fopenmp -lm -stdlib=libc++ -std=c++14' Makefile sed -i 's/-O4/-O3/g' Makefile rm -rf utgcns/libboost/boost/ -cp -ar ${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/boost-clang/1.72.0/include/boost/ utgcns/libboost/ +cp -ar ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0/include/boost/ utgcns/libboost/ if [ ! -f "/usr/include/sys/sysctl.h" ];then if [ -f "/usr/include/linux/sysctl.h" ];then sed -i 's%sys/sysctl.h%linux/sysctl.h%g' utility/system.C diff --git a/templates/cdo/1.9.8/cdo.arm.hpckit.config b/templates/cdo/1.9.8/cdo.arm.hpckit.config index 2bb7e19c7cbdf0df8f1eff35f64907640f7999b8..b55e180e4189c37b47ade998acd2c6fc5cf6e22c 100644 --- a/templates/cdo/1.9.8/cdo.arm.hpckit.config +++ b/templates/cdo/1.9.8/cdo.arm.hpckit.config @@ -5,15 +5,15 @@ cdo/1.9.8 https://code.mpimet.mpg.de/attachments/download/20826/cdo-1.9.8.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx ./jarvis -install package/hdf5/1.12.0/clang bisheng+mpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 ./jarvis -install package/pnetcdf/1.11.2 bisheng+mpi module load pnetcdf/1.11.2 @@ -24,10 +24,10 @@ module load grib_api/1.21.0 [ENV] -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 module load pnetcdf/1.11.2 module load netcdf-clang/4.7.4 @@ -35,14 +35,14 @@ module load grib_api/1.21.0 [APP] app_name = cdo -build_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/cdo-1.9.8 -binary_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/cdo-1.9.8/bin +build_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cdo-1.9.8 +binary_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cdo-1.9.8/bin case_dir = [BUILD] set -x cd ${JARVIS_TMP} -installdir=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/cdo-1.9.8 +installdir=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cdo-1.9.8 mkdir -p ${installdir} rm -rf cdo-1.9.8 tar xf ${JARVIS_ROOT}/downloads/cdo-1.9.8.tar.gz @@ -53,11 +53,11 @@ make install [CLEAN] -rm -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/cdo-1.9.8 +rm -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cdo-1.9.8 [RUN] run = -binary = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/ +binary = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ nodes = 1 [BATCH] diff --git a/templates/code_aster/14.6.0/code_aster.arm.cpu.kgcc.hmpi.config b/templates/code_aster/14.6.0/code_aster.arm.cpu.kgcc.hmpi.config index 7a20f9d6461dbbac38e0815887ef1d61500b3a8f..8071770ecca156780bf2db1595cb198c376ae938 100644 --- a/templates/code_aster/14.6.0/code_aster.arm.cpu.kgcc.hmpi.config +++ b/templates/code_aster/14.6.0/code_aster.arm.cpu.kgcc.hmpi.config @@ -9,9 +9,9 @@ set -e set -x yum install -y vim tar git wget automake autoconf libtool make cmake -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --use-bisheng --force -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --use-bisheng --force +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` @@ -26,7 +26,7 @@ tar -xvf ${JARVIS_DOWNLOAD}/aster-full-src-14.6.0-1.noarch.tar.gz mkdir -p CODE-ASTER [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` diff --git a/templates/croco/2.1.0/data.croco.arm.gcc.cpu.config b/templates/croco/2.1.0/data.croco.arm.gcc.cpu.config index 112ee8408c8e86b91d2591e35383897f25df1896..5b22203053d762b03f584b0d26770e2fe9fd0b82 100644 --- a/templates/croco/2.1.0/data.croco.arm.gcc.cpu.config +++ b/templates/croco/2.1.0/data.croco.arm.gcc.cpu.config @@ -11,8 +11,8 @@ yum install -y make python3 module purge module use ./software/modulefiles -./jarvis -install hpckit/24.0.0 any -module use ./software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module load gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi @@ -38,7 +38,7 @@ export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:${NETCDF}/lib [ENV] module purge -module use ./software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module use ./software/modulefiles module use ./software/moduledeps module use ./software/moduledeps/gcc12.3.1-hmpi2.4.3 diff --git a/templates/dealii/9.6.2/dealii.arm.bisheng.hpckit.config b/templates/dealii/9.6.2/dealii.arm.bisheng.hpckit.config index f05767d50ff581797e3d790e0dc9ccf67db3b2b4..2cfa87468e8c4f1adaac8c245b5d4cc8bb143cd0 100644 --- a/templates/dealii/9.6.2/dealii.arm.bisheng.hpckit.config +++ b/templates/dealii/9.6.2/dealii.arm.bisheng.hpckit.config @@ -7,17 +7,17 @@ dealii/9.6.2 ${JARVIS_PROXY}/dealii/dealii/releases/download/v9.6.2/dealii-9.6.2 [DEPENDENCY] set -e module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles mkdir -p ${JARVIS_ROOT}/software/apps/dealii tar -zxvf ${JARVIS_DOWNLOAD}/dealii-9.6.2.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi module load bisheng/kml2.5.0/kml module unload bisheng/kml2.5.0/kspblas/omp module unload bisheng/kml2.5.0/kvml/serial @@ -32,7 +32,7 @@ case_dir = ${JARVIS_ROOT}/software/apps/dealii/examples/step-23/ mkdir build cd build/ # disabled -DDEAL_II_WITH_TBB=OFF; or Customise to specify compatible TBB versions enabled -DTBB_DIR=xxx -CC=mpicc CXX=mpicxx FC=mpifort cmake .. -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/dealii -DDEAL_II_WITH_MPI=ON -DCMAKE_BUILD_TYPE=Release -DDEAL_II_WITH_TBB=OFF -DBLAS_LIBRARIES=${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/latest/kml/bisheng/lib/neon/kblas/pthread/libkblas.so -DLAPACK_LIBRARIES=${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/latest/kml/bisheng/lib/neon/libklapack_full.so +CC=mpicc CXX=mpicxx FC=mpifort cmake .. -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/dealii -DDEAL_II_WITH_MPI=ON -DCMAKE_BUILD_TYPE=Release -DDEAL_II_WITH_TBB=OFF -DBLAS_LIBRARIES=${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp}/kblas/pthread/libkblas.so -DLAPACK_LIBRARIES=${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp}/libklapack_full.so # physical memory >= 64G sed -i 's/\${DEAL_II_MPIEXEC_NUMPROC_FLAG}/--allow-run-as-root \${DEAL_II_MPIEXEC_NUMPROC_FLAG}/g' share/deal.II/macros/macro_deal_ii_add_test.cmake make -j diff --git a/templates/deepmd-kit/2.2.10/deepmdkit.arm.cpu.kgcc.hmpi.config b/templates/deepmd-kit/2.2.10/deepmdkit.arm.cpu.kgcc.hmpi.config index 04e50e9f2c2312517f214ebde15158451c77b937..7c299b649a2c197c449789ee286dfa4225eb4e81 100644 --- a/templates/deepmd-kit/2.2.10/deepmdkit.arm.cpu.kgcc.hmpi.config +++ b/templates/deepmd-kit/2.2.10/deepmdkit.arm.cpu.kgcc.hmpi.config @@ -12,8 +12,8 @@ module purge ./jarvis -install package/anaconda3/2024.10 any module use ./software/modulefiles source ${JARVIS_ROOT}/software/utils/anaconda3/2024.10/etc/profile.d/conda.sh -./jarvis -install hpckit/24.0.0 any -module use ./software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` @@ -25,7 +25,7 @@ git clone -b v2.2.10 https://github.com/deepmodeling/deepmd-kit #使用wget获 module purge module use ./software/modulefiles source ${JARVIS_ROOT}/software/utils/anaconda3/2024.10/etc/profile.d/conda.sh -module use ./software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` diff --git a/templates/deeptools/3.5.1/data.deeptools.arm.cpu.config b/templates/deeptools/3.5.1/data.deeptools.arm.cpu.config index cc3f5084ed8c163ec4b973d5c2ddd70d071273af..ab45e6c03a45872a2627c8321e0801fb8e1f4242 100644 --- a/templates/deeptools/3.5.1/data.deeptools.arm.cpu.config +++ b/templates/deeptools/3.5.1/data.deeptools.arm.cpu.config @@ -11,15 +11,16 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install python3/3.9.9 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 echo "Check the source code" @@ -34,12 +35,12 @@ tar -xvzf ${JARVIS_DOWNLOAD}/deepTools-3.5.1.tar.gz set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 diff --git a/templates/diamond/2.0.4/data.diamond.arm.cpu.config b/templates/diamond/2.0.4/data.diamond.arm.cpu.config index b02a6da376f0492cf2129abe5727d5f5b0a75752..41cdcf00f8143f66f0366de00d5b49b514052603 100644 --- a/templates/diamond/2.0.4/data.diamond.arm.cpu.config +++ b/templates/diamond/2.0.4/data.diamond.arm.cpu.config @@ -11,12 +11,13 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] app_name = diamond diff --git a/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config b/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config index 804b0fe54f4762e0114b17d498af8c34ffe7a701..8b0e0d3661c3cc8a2ec187ff9908fbcfeece27f8 100644 --- a/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config +++ b/templates/dlPoly/1.1/dl_poly.arm.cpu.bisheng.hmpi.config @@ -10,23 +10,25 @@ set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 tar -vzxf ${JARVIS_DOWNLOAD}/dl_poly-RELEASE-1-10.tar.gz tar -vzxf ${JARVIS_DOWNLOAD}/TEST41.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 export CC=`which clang` export CXX=`which clang++` diff --git a/templates/eigen/3.4/data.eigen.arm-920.cpu.config b/templates/eigen/3.4/data.eigen.arm-920.cpu.config index 9309105010a2533f35655d38b7fea529f7d42d09..673a581f07e10cb1c1f9315af744c846dafbe716 100644 --- a/templates/eigen/3.4/data.eigen.arm-920.cpu.config +++ b/templates/eigen/3.4/data.eigen.arm-920.cpu.config @@ -7,9 +7,10 @@ eigen/3.4 https://gitlab.com/libeigen/eigen/-/archive/3.4/eigen-3.4.tar.gz [DEPENDENCY] module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=clang CXX=clang++ FC=flang cd ${JARVIS_TMP_DOWNLOAD} @@ -18,8 +19,9 @@ tar -xzvf ${JARVIS_DOWNLOAD}/eigen-3.4.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] app_name = eigen diff --git a/templates/espressomd/4.1.4/data.espressomd.arm.cpu.bisheng.hmpi.config b/templates/espressomd/4.1.4/data.espressomd.arm.cpu.bisheng.hmpi.config index 75c857ce86c4c452f7b1dc5e70d5f4f72e3ad6e3..9c4990ed143556ee664a914343ebcd90fea14045 100644 --- a/templates/espressomd/4.1.4/data.espressomd.arm.cpu.bisheng.hmpi.config +++ b/templates/espressomd/4.1.4/data.espressomd.arm.cpu.bisheng.hmpi.config @@ -15,15 +15,15 @@ yum install libxml2-devel libxslt-devel cmake -y pip3 install numpy --upgrade --force-reinstall pip3 install cython sudo dnf install python3-devel -y -./jarvis -install hpckit/24.0.0 any -module use ./software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install fftw/3.3.8 clang+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module load fftw/3.3.8 tar -vzxf ${JARVIS_DOWNLOAD}/espresso-4.1.4.tar.gz tar -xf ${JARVIS_DOWNLOAD}/boost_1_72_0.tar.bz2 @@ -39,13 +39,13 @@ export Boost_INCLUDE_PATH=${JARVIS_ROOT}/boost/1_72_0/include [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module load fftw/3.3.8 [APP] @@ -55,8 +55,8 @@ binary_dir = case_dir = ${JARVIS_ROOT}/espresso/build/ [BUILD] -sed -i "25i\SET(CMAKE_INCLUDE_PATH ${CMAKE_INCLUDE_PATH} \"${JARVIS_ROOT}/software/libs/bisheng4.1.0/hmpi2.4.3/fftw/3.3.8/include\")" cmake/FindFFTW3.cmake -sed -i "26i\SET(CMAKE_LIBRARY_PATH ${CMAKE_LIBRARY_PATH} \"${JARVIS_ROOT}/software/libs/bisheng4.1.0/hmpi2.4.3/fftw/3.3.8/lib\")" cmake/FindFFTW3.cmake +sed -i "25i\SET(CMAKE_INCLUDE_PATH ${CMAKE_INCLUDE_PATH} \"${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8/include\")" cmake/FindFFTW3.cmake +sed -i "26i\SET(CMAKE_LIBRARY_PATH ${CMAKE_LIBRARY_PATH} \"${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8/lib\")" cmake/FindFFTW3.cmake mkdir build cd build cmake .. -DBOOST_ROOT=${JARVIS_ROOT}/boost/1_72_0 -DBoost_INCLUDE_DIR=${JARVIS_ROOT}/boost/1_72_0/include diff --git a/templates/fastp/0.20.1/data.fastp.arm.cpu.config b/templates/fastp/0.20.1/data.fastp.arm.cpu.config index ec137181dd01de4cd1f2c8774da3bbfbd2d9e009..443d3004842ddf78126861446f29c756dd87d559 100644 --- a/templates/fastp/0.20.1/data.fastp.arm.cpu.config +++ b/templates/fastp/0.20.1/data.fastp.arm.cpu.config @@ -12,9 +12,10 @@ fastp/case2 http://ftp.sra.ebi.ac.uk/vol1/fastq/ERR104/008/ERR1044518/ERR1044518 set -e set -x module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -41,8 +42,9 @@ gunzip -k ERR1044518_2.fastq.gz set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/fds/6.7.4/data.fds.arm.clang.cpu.config b/templates/fds/6.7.4/data.fds.arm.clang.cpu.config index b927cd97d9338b95f9a1bcf2f11fe3277dfe524e..8444e56bbf75661bd99ca8f03a1b98769b04f740 100644 --- a/templates/fds/6.7.4/data.fds.arm.clang.cpu.config +++ b/templates/fds/6.7.4/data.fds.arm.clang.cpu.config @@ -7,9 +7,9 @@ FDS/6.7.4 https://github.com/firemodels/fds/archive/refs/tags/FDS6.7.4.tar.gz [DEPENDENCY] module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which mpicc` export CXX=`which mpicxx` export FC=`which mpifort` @@ -19,9 +19,9 @@ tar -xvf ${JARVIS_DOWNLOAD}/FDS6.7.4.tar.gz [ENV] module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which mpicc` export CXX=`which mpicxx` export FC=`which mpifort` diff --git a/templates/fds/6.7.4/data.fds.arm.sve.cpu.config b/templates/fds/6.7.4/data.fds.arm.sve.cpu.config index 0d729c9599b033e7832f0a7818c79f43e109dedc..d405e9b4091c872b9163e54156c2546df06a32de 100644 --- a/templates/fds/6.7.4/data.fds.arm.sve.cpu.config +++ b/templates/fds/6.7.4/data.fds.arm.sve.cpu.config @@ -6,18 +6,18 @@ FDS/6.7.4 https://github.com/firemodels/fds/archive/refs/tags/FDS6.7.4.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx export CC=mpicc CXX=mpicxx FC=mpifort diff --git a/templates/featurecounts/2.0.3/data.featurecounts.arm.cpu.config b/templates/featurecounts/2.0.3/data.featurecounts.arm.cpu.config index 3fc89611ca01e684cf612101c5ca59a647733dad..93835449a2c1da6fc2d11ce91aebd3c087e312c2 100644 --- a/templates/featurecounts/2.0.3/data.featurecounts.arm.cpu.config +++ b/templates/featurecounts/2.0.3/data.featurecounts.arm.cpu.config @@ -9,10 +9,11 @@ featurecounts/2.0.3 https://sourceforge.net/projects/subread/files/subread-2.0.3 [DEPENDENCY] set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -27,8 +28,9 @@ tar -xzvf ${JARVIS_DOWNLOAD}/subread-2.0.3-source.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] diff --git a/templates/flit/3.12.0/flit.arm.py3.config b/templates/flit/3.12.0/flit.arm.py3.config index 448ef1f9a1063abe3428731b92a58112274880b9..85c9c76fdee6517a36a476b89ad554eceb1b5041 100644 --- a/templates/flit/3.12.0/flit.arm.py3.config +++ b/templates/flit/3.12.0/flit.arm.py3.config @@ -7,9 +7,11 @@ flit/3.12.0 https://files.pythonhosted.org/packages/50/9c/0608c91a5b6c013c635485 [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 + +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 @@ -17,8 +19,9 @@ tar -zxvf ${JARVIS_DOWNLOAD}/flit-3.12.0.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 #测试准备 export FLIT_ROOT_INSTALL=1 diff --git a/templates/flit/3.8.0/flit.arm.py3.config b/templates/flit/3.8.0/flit.arm.py3.config index 1896677510d39667a5717b7701f3564923da7e6b..5d0ef77d9002f4819a6a1927e98b39fe7194105d 100644 --- a/templates/flit/3.8.0/flit.arm.py3.config +++ b/templates/flit/3.8.0/flit.arm.py3.config @@ -6,17 +6,20 @@ flit/3.8.0 https://files.pythonhosted.org/packages/28/c6/c399f38dab6d3a2518a50d3 [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 + +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install package/anaconda3/2024.10 com source ${JARVIS_ROOT}/software/compiler/anaconda3/2024.10/etc/profile.d/conda.sh tar -zxvf ${JARVIS_DOWNLOAD}/flit-3.8.0.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + #测试准备 export FLIT_ROOT_INSTALL=1 source ${JARVIS_ROOT}/software/compiler/anaconda3/2024.10/etc/profile.d/conda.sh diff --git a/templates/gadget2/2.3.5/data.gadget2.arm.cpu.kgcc.config b/templates/gadget2/2.3.5/data.gadget2.arm.cpu.kgcc.config index a82284067263311427551c5d67933b4ebf8f572b..ffeb428a3d62724c1756dc05ede1a94a21380345 100644 --- a/templates/gadget2/2.3.5/data.gadget2.arm.cpu.kgcc.config +++ b/templates/gadget2/2.3.5/data.gadget2.arm.cpu.kgcc.config @@ -8,8 +8,8 @@ gadget2/2.3.5 https://github.com/gadget-framework/gadget2/archive/refs/tags/v2.3 set -e set -x yum install -y libX11 libX11-devel -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` @@ -18,7 +18,7 @@ export FC=`which gfortran` tar -xzvf ${JARVIS_DOWNLOAD}/gadget2-v2.3.5.tar.gz [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` diff --git a/templates/gptl/8.1.1/gptl.arm.cpu.kgcc.hmpi.config b/templates/gptl/8.1.1/gptl.arm.cpu.kgcc.hmpi.config index 384c52c17db5f210dd9b27a77d78bb095e2e980e..41c4dfcd8064992b51e1bef4574e66d6b2bf5020 100644 --- a/templates/gptl/8.1.1/gptl.arm.cpu.kgcc.hmpi.config +++ b/templates/gptl/8.1.1/gptl.arm.cpu.kgcc.hmpi.config @@ -9,8 +9,8 @@ set -e set -x yum install libunwind libunwind-devel cmake make autoconf automake libtool -y module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` @@ -20,7 +20,7 @@ mkdir -p GPTL [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` diff --git a/templates/gromacs/2024.2/data.gromacs.arm.cpu.config b/templates/gromacs/2024.2/data.gromacs.arm.cpu.config index 6b4493ad4806a48238ad3da7023631bd264e4966..2ea7f58d71547fc234d09bfc5a43b239ea1f9c0a 100644 --- a/templates/gromacs/2024.2/data.gromacs.arm.cpu.config +++ b/templates/gromacs/2024.2/data.gromacs.arm.cpu.config @@ -7,22 +7,22 @@ Testcase https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseC.tar. [DEPENDENCY] module purge -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi module load bisheng/kml2.5.0/kblas/pthread bisheng/kml2.5.0/kml [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi module load bisheng/kml2.5.0/kblas/pthread bisheng/kml2.5.0/kml -export PATH=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/gromacs-2024.2/bin:$PATH +export PATH=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/gromacs-2024.2/bin:$PATH [APP] app_name = gromacs build_dir = $JARVIS_TMP -binary_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/gromacs-2024.2/bin +binary_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/gromacs-2024.2/bin case_dir = $JARVIS_TMP [BUILD] @@ -31,9 +31,9 @@ tar -xf ${JARVIS_DOWNLOAD}/gromacs-2024.2.tar.gz cd gromacs-2024.2 mkdir -p build cd build -export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib +export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib -cmake ../ -DCMAKE_INSTALL_PREFIX=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/gromacs-2024.2 -DCMAKE_BUILD_TYPE=Release -DGMX_MPI=ON -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++ -DMPI_C_COMPILER=mpicc -DMPI_CXX_COMPILER=mpicxx -DGMX_INSTALL_LEGACY_API=ON -DGMX_HWLOC=ON -DGMX_EXTERNAL_LAPACK=ON -DGMX_LAPACK_USER=$KML_LIB_PATH/${kp}/libklapack_full.so -DGMX_EXTERNAL_BLAS=ON -DGMX_BLAS_USER=$KML_LIB_PATH/${kp}/kblas/pthread/libkblas.so -DGMX_SIMD=ARM_SVE -DGMX_OPENMP=ON -DGMX_FFT_LIBRARY=fftw3 -DFFTWF_LIBRARY=$KML_LIB_PATH/noarch/libfftw3f.so -DCMAKE_CXX_FLAGS="-L$KML_LIB_PATH/noarch -lkm" -DGMX_SIMD_ARM_SVE_LENGTH=256 +cmake ../ -DCMAKE_INSTALL_PREFIX=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/gromacs-2024.2 -DCMAKE_BUILD_TYPE=Release -DGMX_MPI=ON -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++ -DMPI_C_COMPILER=mpicc -DMPI_CXX_COMPILER=mpicxx -DGMX_INSTALL_LEGACY_API=ON -DGMX_HWLOC=ON -DGMX_EXTERNAL_LAPACK=ON -DGMX_LAPACK_USER=$KML_LIB_PATH/${kp}/libklapack_full.so -DGMX_EXTERNAL_BLAS=ON -DGMX_BLAS_USER=$KML_LIB_PATH/${kp}/kblas/pthread/libkblas.so -DGMX_SIMD=ARM_SVE -DGMX_OPENMP=ON -DGMX_FFT_LIBRARY=fftw3 -DFFTWF_LIBRARY=$KML_LIB_PATH/noarch/libfftw3f.so -DCMAKE_CXX_FLAGS="-L$KML_LIB_PATH/noarch -lkm" -DGMX_SIMD_ARM_SVE_LENGTH=256 make -j make install @@ -42,7 +42,7 @@ rm -rf $JARVIS_TMP/gromacs-2024.2/build/* [RUN] run = -binary = mpirun -np 128 --allow-run-as-root -x UCX_TLS=sm --bind-to cpulist:ordered -mca pml ucx -mca btl ^vader,tcp,openib,uct $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/gromacs-2024.2/bin/gmx_mpi mdrun -dlb yes -v -nsteps 4000 -noconfout -pin on -pinoffset 0 -ntomp 1 -npme 40 -g md_sve_0229-ucpg-bisheng.log -s stmv.28M.tpr +binary = mpirun -np 128 --allow-run-as-root -x UCX_TLS=sm --bind-to cpulist:ordered -mca pml ucx -mca btl ^vader,tcp,openib,uct $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/gromacs-2024.2/bin/gmx_mpi mdrun -dlb yes -v -nsteps 4000 -noconfout -pin on -pinoffset 0 -ntomp 1 -npme 40 -g md_sve_0229-ucpg-bisheng.log -s stmv.28M.tpr nodes = 1 [BATCH] @@ -74,6 +74,6 @@ $RUN_TOOL "gromacs gmx_mpi" "mpirun --allow-run-as-root -np 128 gmx_mpi mdrun -d echo "ALL commands executed. Performance log saved to $LOG_FILE" -#mpirun -np 128 -x UCX_TLS=sm --bind-to cpulist:ordered -mca pml ucx -mca btl ^vader,tcp,openib,uct $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/gromacs-2024.2/bin/gmx_mpi mdrun -dlb yes -v -nsteps 4000 -noconfout -pin on -pinoffset 0 -ntomp 1 -npme 8 -g 3-5-pme8-128C.log -s stmv.28M.tpr +#mpirun -np 128 -x UCX_TLS=sm --bind-to cpulist:ordered -mca pml ucx -mca btl ^vader,tcp,openib,uct $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/gromacs-2024.2/bin/gmx_mpi mdrun -dlb yes -v -nsteps 4000 -noconfout -pin on -pinoffset 0 -ntomp 1 -npme 8 -g 3-5-pme8-128C.log -s stmv.28M.tpr diff --git a/templates/gromacs/2025.3/data.gromacs.arm.cpu.config b/templates/gromacs/2025.3/data.gromacs.arm.cpu.config index f4fa687ffc58577db6e05f24cea0470d5fff2ce3..cdf34af9219323123f18594637c9f0aeafe72bd7 100644 --- a/templates/gromacs/2025.3/data.gromacs.arm.cpu.config +++ b/templates/gromacs/2025.3/data.gromacs.arm.cpu.config @@ -7,12 +7,7 @@ Testcase https://repository.prace-ri.eu/ueabs/GROMACS/2.2/GROMACS_TestCaseC.tar. [DEPENDENCY] module purge -if [[ $UseLatest -eq 1 ]]; then - HPCKit_Version=latest -else - HPCKit_Version=${HPCKIT_VERSION} -fi -./jarvis -install hpckit/${HPCKit_Version}/ any +./jarvis -install hpckit/${HPCKit_Version} any ./jarvis -install cmake/3.28.2 any module load ./software/modulefiles/cmake/3.28.2 diff --git a/templates/hefei-namd/master/hefei-namd.arm.bisheng.config b/templates/hefei-namd/master/hefei-namd.arm.bisheng.config index b1cca30e713d7a0f448769d5a79dd5382cac260f..c48cb2b92fe9d4ad0764a5527a3e0715883b2b0f 100644 --- a/templates/hefei-namd/master/hefei-namd.arm.bisheng.config +++ b/templates/hefei-namd/master/hefei-namd.arm.bisheng.config @@ -6,17 +6,18 @@ hefei-namd/master ${JARVIS_PROXY}/QijingZheng/Hefei-NAMD/archive/refs/heads/mast [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + unzip ${JARVIS_DOWNLOAD}/Hefei-NAMD-master.zip -d ${JARVIS_TMP_DOWNLOAD} mkdir -p ${JARVIS_ROOT}/software/apps/hefei-namd/bin [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] app_name = hefei-namd diff --git a/templates/hisat/2.1.0/data.hisat.arm.cpu.bisheng.config b/templates/hisat/2.1.0/data.hisat.arm.cpu.bisheng.config index ea58ff144d988f5634dec1a7bd6f989e33ad9547..26e9bd4e7bfac61dc3685e4b779f08cb1df23031 100644 --- a/templates/hisat/2.1.0/data.hisat.arm.cpu.bisheng.config +++ b/templates/hisat/2.1.0/data.hisat.arm.cpu.bisheng.config @@ -12,10 +12,10 @@ Drosophila_melanogaster.BDGP6.dna.toplevel.fa http://ftp.ensembl.org/pub/release set -e set -x -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule tar -vzxf ${JARVIS_DOWNLOAD}/hisat2-2.1.0.tar.gz mkdir -p TESTCASE cp ${JARVIS_DOWNLOAD}/Drosophila_melanogaster.BDGP6.dna.toplevel.fa.gz TESTCASE @@ -31,9 +31,9 @@ mv Drosophila_melanogaster.BDGP6.dna.toplevel.fa genome.fa [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule [APP] app_name = hisat2 diff --git a/templates/homer/4.11/data.homer.arm.cpu.hpckit.config b/templates/homer/4.11/data.homer.arm.cpu.hpckit.config index da10edcf01fa2e7dbc1c15d8962d82d126399c4c..af31740a6b5d9d5880ad2999af1ef40dbfad6376 100644 --- a/templates/homer/4.11/data.homer.arm.cpu.hpckit.config +++ b/templates/homer/4.11/data.homer.arm.cpu.hpckit.config @@ -12,8 +12,8 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --force +./jarvis -install hpckit/${HPCKIT_VERSION} any +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --force export CC=`which gcc` export CXX=`which g++` export FC=`which gfortran` @@ -37,7 +37,7 @@ gzip -dk ${JARVIS_DOWNLOAD}/hg19_RefSeq.bed.gz -c > ${JARVIS_ROOT}/workloads/hom set -e set -x module purge -source software/utils/hpckit/24.0.0/HPCKit/latest/setvars.sh --force +source software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/setvars.sh --force export CC=`which gcc` export CXX=`which g++` export FC=`which gfortran` diff --git a/templates/hycom/2.3.01/data.hycom.arm-920.cpu.config b/templates/hycom/2.3.01/data.hycom.arm-920.cpu.config index 28490a8d8e055bc8271bde552fa6b79acbed7c88..a028ff7219a16497db5bc6d94cae7f2e95ab74ce 100644 --- a/templates/hycom/2.3.01/data.hycom.arm-920.cpu.config +++ b/templates/hycom/2.3.01/data.hycom.arm-920.cpu.config @@ -10,27 +10,32 @@ set -x yum install -y csh -./jarvis -install bisheng/4.1.0 com -module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps -module load bisheng4.1.0/hmpi/2.4.2 + export CC=`which mpicc` export CXX=`which mpicxx` export FC=`which mpifort` [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module use ./software/moduledeps -module load bisheng4.1.0/hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + CUR_PATH=$(pwd) export JARVIS_ROOT=${CUR_PATH} diff --git a/templates/interproscan/5.73-104.0/interproscan.arm.py39.config b/templates/interproscan/5.73-104.0/interproscan.arm.py39.config index f01fd319aa250cb3500e0d4b130d4d89f62a6656..b6176f97f55b9a26e0ca9eba308f94b6ee97c8b7 100644 --- a/templates/interproscan/5.73-104.0/interproscan.arm.py39.config +++ b/templates/interproscan/5.73-104.0/interproscan.arm.py39.config @@ -8,9 +8,10 @@ bisheng-jre/11.0.25 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bis [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 tar -zxvf ${JARVIS_DOWNLOAD}/bisheng-jdk-11-aarch64.tar.gz -C ${JARVIS_COMPILER} @@ -32,8 +33,9 @@ tar -zxvf ${JARVIS_DOWNLOAD}/interproscan-5.73-104.0-64-bit.tar.gz -C ${JARVIS_R [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 export PATH=${JARVIS_COMPILER}/bisheng-jdk-11.0.25/bin:${JARVIS_COMPILER}/bisheng-jdk-11.0.25/jre/bin:$PATH diff --git a/templates/ioapi/3.2/data.ioapi_clang.arm.cpu.config b/templates/ioapi/3.2/data.ioapi_clang.arm.cpu.config index f2bdb77d40c2e33cf1ac10ca5f2ba0174ea62e70..6fc4f4c398bb3dd19afa0d71519b09a561917b8c 100644 --- a/templates/ioapi/3.2/data.ioapi_clang.arm.cpu.config +++ b/templates/ioapi/3.2/data.ioapi_clang.arm.cpu.config @@ -14,7 +14,7 @@ module load bisheng/2.1.0 module load hmpi/1.1.1 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort ./jarvis -install hdf5/1.12.0/clang clang+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module load hdf5-clang/1.12.0 ./jarvis -install pnetcdf/1.14.0 clang+mpi module load pnetcdf/1.14.0 @@ -28,7 +28,7 @@ export CC=clang CXX=clang++ FC=flang module load bisheng/2.1.0 module load hmpi/1.1.1 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module load hdf5-clang/1.12.0 module load pnetcdf/1.14.0 module load netcdf-clang/4.8.1 diff --git a/templates/ir2tb/data.ir2tb.arm-920.cpu.config b/templates/ir2tb/data.ir2tb.arm-920.cpu.config index 8c35ccb925e8ce4f428bf179858d180259fbf397..2c7c88960c86d445f6e7e7dc1e9fb154807a6397 100644 --- a/templates/ir2tb/data.ir2tb.arm-920.cpu.config +++ b/templates/ir2tb/data.ir2tb.arm-920.cpu.config @@ -6,17 +6,13 @@ IRVSP-master https://github.com/zjwang11/IRVSP/archive/refs/heads/master.zip IRV [DEPENDENCY] module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml export CC=clang CXX=clang++ FC=flang -./jarvis -install hmpi/2.4.0 clang -module use ${JARVIS_ROOT}/software/moduledeps/ -module load bisheng4.1.0/hmpi/2.4.0 - -./jarvis -install kml/2.4.0/bisheng clang -module load bisheng4.1.0/kml-bisheng/2.4.0 unzip ${JARVIS_DOWNLOAD}/IRVSP-master.zip tar -xzvf ${JARVIS_ROOT}/IRVSP-master/lib_irrep_bcs.tar.gz @@ -24,10 +20,10 @@ tar -xzvf ${JARVIS_ROOT}/IRVSP-master/src_ir2tb_v2.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module use ./software/moduledeps/ -module load bisheng4.1.0/kml-bisheng/2.4.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml [APP] app_name = ir2tb diff --git a/templates/irvsp/data.irvsp.arm-920.cpu.config b/templates/irvsp/data.irvsp.arm-920.cpu.config index 1e7f002f4d728624bcb28e2d75b3b007e5a6535c..a78f01bc386b823b123bf84f1967eef598c44873 100644 --- a/templates/irvsp/data.irvsp.arm-920.cpu.config +++ b/templates/irvsp/data.irvsp.arm-920.cpu.config @@ -6,17 +6,13 @@ IRVSP-master https://github.com/zjwang11/IRVSP/archive/refs/heads/master.zip IRV [DEPENDENCY] module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 -export CC=clang CXX=clang++ FC=flang - -./jarvis -install hmpi/2.4.0 clang -module use ${JARVIS_ROOT}/software/moduledeps/ -module load bisheng4.1.0/hmpi/2.4.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml -./jarvis -install kml/2.4.0/bisheng clang -module load bisheng4.1.0/kml-bisheng/2.4.0 unzip ${JARVIS_DOWNLOAD}/IRVSP-master.zip tar -xzvf ${JARVIS_ROOT}/IRVSP-master/lib_irrep_bcs.tar.gz @@ -24,10 +20,9 @@ tar -xzvf ${JARVIS_ROOT}/IRVSP-master/src_irvsp_v2.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module use ./software/moduledeps/ -module load bisheng4.1.0/kml-bisheng/2.4.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} [APP] app_name = ir2tb diff --git a/templates/jax/0.4.30/jax.arm.py39.cpu.config b/templates/jax/0.4.30/jax.arm.py39.cpu.config index 04e4a2d9258dae9874ce44947f3fc20ed074047d..55abac675366719c2fecb74f521f2987d2a92d55 100644 --- a/templates/jax/0.4.30/jax.arm.py39.cpu.config +++ b/templates/jax/0.4.30/jax.arm.py39.cpu.config @@ -6,17 +6,19 @@ jax/0.4.30 https://github.com/jax-ml/jax/archive/refs/tags/jax-v0.4.30.tar.gz [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 tar -zxvf ${JARVIS_DOWNLOAD}/jax-v0.4.30.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 [APP] diff --git a/templates/jellyfish/2.2.10/data.jellyfish.arm.cpu.config b/templates/jellyfish/2.2.10/data.jellyfish.arm.cpu.config index ac013d0a22e43325506c9395a959438b9ae87fff..16ce34aaae12bbdcd34a3176b14459d9d246bdab 100644 --- a/templates/jellyfish/2.2.10/data.jellyfish.arm.cpu.config +++ b/templates/jellyfish/2.2.10/data.jellyfish.arm.cpu.config @@ -10,15 +10,17 @@ yum install liblink-devel -y set -x set -e module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -export CC=clang CXX=clang++ FC=flang +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] app_name = jellyfish diff --git a/templates/kallisto-bustools_python/0.51.1/data.kallisto.arm.cpu.kgcc.config b/templates/kallisto-bustools_python/0.51.1/data.kallisto.arm.cpu.kgcc.config index 827b5e78f32ac92e8a60b48b668eaa1712cede9e..981a82c8e5d0d44eadddd538436da99046699a77 100644 --- a/templates/kallisto-bustools_python/0.51.1/data.kallisto.arm.cpu.kgcc.config +++ b/templates/kallisto-bustools_python/0.51.1/data.kallisto.arm.cpu.kgcc.config @@ -12,8 +12,8 @@ yum install -y autoconf automake libtool yum -y install xz-devel yum install libarchive -y module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` @@ -25,7 +25,7 @@ tar -xzvf ${JARVIS_DOWNLOAD}/kallisto-0.51.1.tar.gz [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` diff --git a/templates/kallisto-bustools_python/0.51.1/kallisto.arm.bisheng.hmpi.config b/templates/kallisto-bustools_python/0.51.1/kallisto.arm.bisheng.hmpi.config index 61edfa00175d82274dc85a5870abe720d53e891c..bd64df79ae39cd7318e74d4050b460b255eed1c3 100755 --- a/templates/kallisto-bustools_python/0.51.1/kallisto.arm.bisheng.hmpi.config +++ b/templates/kallisto-bustools_python/0.51.1/kallisto.arm.bisheng.hmpi.config @@ -7,11 +7,12 @@ kallisto/0.51.1 ${JARVIS_PROXY}/pachterlab/kallisto/archive/refs/tags/v0.51.1.ta [DEPENDENCY] set -e module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 + +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + ./jarvis -install hdf5/1.12.1/clang bisheng+mpi module load hdf5-clang/1.12.1 @@ -20,9 +21,9 @@ tar -zxf ${JARVIS_DOWNLOAD}/kallisto-0.51.1.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} module load hdf5-clang/1.12.1 [APP] diff --git a/templates/kraken2/2.1.2/data.kraken2.arm.cpu.config b/templates/kraken2/2.1.2/data.kraken2.arm.cpu.config index c0f6bc0798a77b749653ecd765864fc8ad174c08..610340d7c3b1add447678e56b6072df7f1c6772a 100644 --- a/templates/kraken2/2.1.2/data.kraken2.arm.cpu.config +++ b/templates/kraken2/2.1.2/data.kraken2.arm.cpu.config @@ -7,18 +7,19 @@ kraken2/2.1.2 https://github.com/DerrickWood/kraken2/archive/refs/tags/v2.1.2.ta [DEPENDENCY] set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge module use ./software/modulefiles -module load bisheng/4.1.0 +module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule rm -rf kraken2-2.1.2 tar -xvf ${JARVIS_DOWNLOAD}/kraken2-2.1.2.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + [APP] app_name = kraken2 diff --git a/templates/lammps/2023.8.2/data.lammps.arm.cpu.config b/templates/lammps/2023.8.2/data.lammps.arm.cpu.config index eb35c4edc312a7e5260db36b61892b84f31bf9a5..47f94e6a8223876d8e493639f6367bcd72b10f44 100644 --- a/templates/lammps/2023.8.2/data.lammps.arm.cpu.config +++ b/templates/lammps/2023.8.2/data.lammps.arm.cpu.config @@ -8,7 +8,7 @@ lammps/2023.8.2 https://download.lammps.org/tars/lammps-2Aug2023.tar.gz yum install -y cmake make module purge ./jarvis -install hpckit/2024.12.30 any -module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles +module use software/utils/hpckit/2024.12.30/HPCKit/latest/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` @@ -19,7 +19,7 @@ module load fftw/3.3.10 [ENV] module purge -module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles +module use software/utils/hpckit/2024.12.30/HPCKit/latest/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which gcc` export CXX=`which g++` diff --git a/templates/likwid/5.2.2/likwid.arm.cpu.bisheng.hmpi.config b/templates/likwid/5.2.2/likwid.arm.cpu.bisheng.hmpi.config index 46318faaa9e79907981c277cef3a73c09dd70d44..3341d32f5a577a74648c892f27c3d0f956707ad5 100644 --- a/templates/likwid/5.2.2/likwid.arm.cpu.bisheng.hmpi.config +++ b/templates/likwid/5.2.2/likwid.arm.cpu.bisheng.hmpi.config @@ -9,9 +9,9 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -20,8 +20,8 @@ mkdir -p LIKWID [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/lmod/8.7.15/data.lmod.arm.cpu.kgcc.config b/templates/lmod/8.7.15/data.lmod.arm.cpu.kgcc.config index f52a93c8ffc7100c651224dcb4b4641a17543cd6..04d508374b5f7b357ccd25cbc564302a0683b8a9 100644 --- a/templates/lmod/8.7.15/data.lmod.arm.cpu.kgcc.config +++ b/templates/lmod/8.7.15/data.lmod.arm.cpu.kgcc.config @@ -10,8 +10,8 @@ set -e set -x yum install lua-* tcl-devel make cmake -y module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` export CXX=`which g++` @@ -21,7 +21,7 @@ mkdir -p Lmod [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` export CXX=`which g++` diff --git a/templates/meep/1.17.1/data.meep.arm.cpu.config b/templates/meep/1.17.1/data.meep.arm.cpu.config index ecc593fce14f7c644744ffb17ef104631fa7d2fd..3720bca1dec264d04ae5ae792b470b8c3a64f5df 100644 --- a/templates/meep/1.17.1/data.meep.arm.cpu.config +++ b/templates/meep/1.17.1/data.meep.arm.cpu.config @@ -14,16 +14,16 @@ meep/1.17.1 https://codeload.github.com/NanoComp/meep/tar.gz/v1.17.1 meep-1.17.1 set -e set -x module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi export MEEP_DEPENDENCIES_DIR=${JARVIS_ROOT}/MEEP_DEPENDENCIES export MEEP_DIR=${JARVIS_ROOT}/software/apps/bisheng/meep/1.17.1 export PATH=${MEEP_DEPENDENCIES_DIR}/bin:${MEEP_DIR}/bin:$PATH diff --git a/templates/meep/data.meep.arm.cpu.config b/templates/meep/data.meep.arm.cpu.config index 946e2e845f901f24beee69bf13ca7f3f52771d22..95ed0d9ceea55ebb8ec0dfc0686718c00ee45164 100644 --- a/templates/meep/data.meep.arm.cpu.config +++ b/templates/meep/data.meep.arm.cpu.config @@ -9,16 +9,16 @@ libGDSII/0.21 https://codeload.github.com/HomerReid/libGDSII/tar.gz/v0.21 libGDS meep/1.17.1 https://codeload.github.com/NanoComp/meep/tar.gz/v1.17.1 meep-1.17.1.tar.gz [DEPENDENCY] -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=clang CXX=clang++ FC=flang export PATH=/hpcrunner/DEPENDENCIES/bin:$PATH export LD_LIBRARY_PATH=/hpcrunner/DEPENDENCIES/lib:$LD_LIBRARY_PATH diff --git a/templates/memkind/1.13.0/data.memkind.arm.cpu.bisheng.config b/templates/memkind/1.13.0/data.memkind.arm.cpu.bisheng.config index d706eeb194257bac787a053be1c43588ce1c7a90..f77254f9de9574b2ca40a33e857de80851735d38 100644 --- a/templates/memkind/1.13.0/data.memkind.arm.cpu.bisheng.config +++ b/templates/memkind/1.13.0/data.memkind.arm.cpu.bisheng.config @@ -7,9 +7,9 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -18,8 +18,8 @@ source ${JARVIS_ROOT}/spack/share/spack/setup-env.sh [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/meso_grapes/6.0/data.meso_grapes.arm.cpu.bisheng.hmpi.config b/templates/meso_grapes/6.0/data.meso_grapes.arm.cpu.bisheng.hmpi.config index e4961c89287aba51d8e36ab5213e1859fbcc6c64..7997be021c909fc132c2721382cd01cb3c7ec0a0 100644 --- a/templates/meso_grapes/6.0/data.meso_grapes.arm.cpu.bisheng.hmpi.config +++ b/templates/meso_grapes/6.0/data.meso_grapes.arm.cpu.bisheng.hmpi.config @@ -8,12 +8,14 @@ set -e set -x yum install -y time zlib zlib-devel libtirpc libtirpc-devel numactl libatomic module purge -./jarvis -install hpckit/24.0.0 com -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any + + +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 ./jarvis -install hdf5/1.12.1/clang bisheng+mpi module load hdf5-clang/1.12.1 ./jarvis -install pnetcdf/1.12.3 bisheng+mpi @@ -24,16 +26,18 @@ module load netcdf-clang/4.8.1 [ENV] #!/bin/bash module purge -module use ${JARVIS_ROOT}/software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3 -module load bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} + module load hdf5-clang/1.12.1 module load pnetcdf/1.12.3 module load netcdf-clang/4.8.1 module load bisheng/kml2.5.0/kml export NETCDF_LIB=${NETCDF_CLANG_PATH}/lib -export KML_LIB=${JARVIS_ROOT}/software/compiler/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/noarch +export KML_LIB=${JARVIS_ROOT}/software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/noarch export HMG_LIB=${JARVIS_ROOT}/GRAPES_MESO_262794_6.0_gz/fcst/hmg export LD_LIBRARY_PATH=${HMG_LIB}:$LD_LIBRARY_PATH @@ -52,7 +56,7 @@ if [ -d "./GRAPES_MESO_262794_6.0_gz" ]; then fi tar -zxvf $JARVIS_DOWNLOAD/GRAPES_MESO_262794_6.0_gz_20241230.tar.gz cd ${JARVIS_ROOT}/GRAPES_MESO_262794_6.0_gz/fcst/hmg -KML_PATH=${JARVIS_ROOT}/software/compiler/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng +KML_PATH=${JARVIS_ROOT}/software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng mpicxx sharedlib.cpp -fPIC -shared -std=c++17 -stdlib=libc++ -w -march=armv8.3-a+fp16 -O3 -mcpu=hip09 -ffast-math -lm -lc++ -I/${KML_PATH}/include -L/${KML_PATH}/lib/${kp}/ -lkscasolver -lkservice -lklapack_full -L/${KML_PATH}/lib/${kp}/kblas/pthread -lkblas -o libgmg_P32D16.so cd ${JARVIS_ROOT}/GRAPES_MESO_262794_6.0_gz/fcst/grapes_model sed -i '19c OPTFLAGS_INTELC = -O3 -Wno-implicit-function-declaration -Wno-implicit-int -mcpu=hip09' ${JARVIS_ROOT}/GRAPES_MESO_262794_6.0_gz/fcst/grapes_model/config/configure.grapes.KUNPENG diff --git a/templates/minighost/1.0/data.minighost.arm.cpu.gcc.hmpi.config b/templates/minighost/1.0/data.minighost.arm.cpu.gcc.hmpi.config index b1805dc63f7820f1a3de5771bec713f054686d14..2ebfa3ad0081d932387ecbff70fb2cf99472b55d 100644 --- a/templates/minighost/1.0/data.minighost.arm.cpu.gcc.hmpi.config +++ b/templates/minighost/1.0/data.minighost.arm.cpu.gcc.hmpi.config @@ -8,8 +8,8 @@ miniGhost/v1.0 https://github.com/Mantevo/miniGhost/archive/refs/heads/master.zi set -e set -x -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi unzip ${JARVIS_DOWNLOAD}/miniGhost-master.zip @@ -21,7 +21,7 @@ sed -i '36,$d' Makefile echo ' PROTOCOL = -D_MG_MPI -MPI_LOC = '"${JARVIS_ROOT}"'/software/utils/hpckit/24.0.0/HPCKit/24.12.30/hmpi/gcc/hmpi +MPI_LOC = '"${JARVIS_ROOT}"'/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/hmpi/gcc/hmpi MPI_INCLUDE = -I$(MPI_LOC)/include # State precision: -D_REAL4 and/or -D_REAL8. REAL_PRECISION = -D_MG_REAL8 @@ -48,7 +48,7 @@ FFLAGS += -D_MG_CHECKPT NCPATH= LNCDF=-L$(NCPATH)/lib LD=$(FC) -LDFLAGS=$(CFLAGS) $(FFLAGS) -L'"${JARVIS_ROOT}"'/software/utils/hpckit/24.0.0/HPCKit/24.12.30/hmpi/gcc/hmpi -lmpi_mpifh +LDFLAGS=$(CFLAGS) $(FFLAGS) -L'"${JARVIS_ROOT}"'/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/hmpi/gcc/hmpi -lmpi_mpifh #LDFLAGS=$(CFLAGS) $(FFLAGS) #LDFLAGS=$(FFLAGS) LIBS= @@ -57,7 +57,7 @@ include make_targets ' >> Makefile [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi diff --git a/templates/minimap2/master/data.minimap2.arm.cpu.bisheng.config b/templates/minimap2/master/data.minimap2.arm.cpu.bisheng.config index 0c150c0fd8f4a2200cb755e1518051accad261c3..3dadc7ce9cfbf93d728126248db529af7215fc0e 100644 --- a/templates/minimap2/master/data.minimap2.arm.cpu.bisheng.config +++ b/templates/minimap2/master/data.minimap2.arm.cpu.bisheng.config @@ -8,17 +8,17 @@ minimap2/master https://github.com/lh3/minimap2/archive/master.zip minimap2-mast set -e set -x -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule yum install wget git gcc-c++ zlib -y unzip ${JARVIS_DOWNLOAD}/minimap2-master.zip [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule [APP] app_name = minimap2 diff --git a/templates/modeller/10.6/modeller.arm.bisheng.hmpi.config b/templates/modeller/10.6/modeller.arm.bisheng.hmpi.config index b52cdb80424a48769267971e58ea054df1071f0e..51fb1169b58dd2dd074718a04abdc11d6f5a42c0 100644 --- a/templates/modeller/10.6/modeller.arm.bisheng.hmpi.config +++ b/templates/modeller/10.6/modeller.arm.bisheng.hmpi.config @@ -8,10 +8,11 @@ soap_protein_od.hdf5/modeller>9.13 https://salilab.org/SOAP/soap_protein_od.hdf [DEPENDENCY] module purge module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + ./jarvis -install hdf5/1.10.7/clang bisheng+mpi module load hdf5-clang/1.10.7 tar -zxvf ${JARVIS_DOWNLOAD}/modeller-10.6.tar.gz -C ${JARVIS_TMP_DOWNLOAD} @@ -19,9 +20,10 @@ mkdir -p ${JARVIS_ROOT}/software/app/modeller [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + module load hdf5-clang/1.10.7 export PATH=${JARVIS_ROOT}/software/app/modeller/bin:$PATH diff --git a/templates/monocle3/1.3.7/monocle3.arm.bisheng.hmpi.R.config b/templates/monocle3/1.3.7/monocle3.arm.bisheng.hmpi.R.config index 6508de5ce42955eea4375c9d5bf0c752c4fcf3fb..09322c6231680a49e01edd2f5c5e65b73a32325a 100644 --- a/templates/monocle3/1.3.7/monocle3.arm.bisheng.hmpi.R.config +++ b/templates/monocle3/1.3.7/monocle3.arm.bisheng.hmpi.R.config @@ -8,8 +8,9 @@ monocle3/master ${JARVIS_PROXY}/cole-trapnell-lab/monocle3/archive/refs/heads/ma yum install -y libgit2-devel freetype-devel fontconfig-devel libtiff-devel geos-devel libXext-devel harfbuzz-devel fribidi-devel libjpeg-turbo-devel module purge module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install hmpi/2.4.2 bisheng module load hmpi/2.4.2 ./jarvis -install libjpeg/v9b bisheng+mpi @@ -24,10 +25,10 @@ module load gdal/2.2.4 module load udunits/2.2.28 ./jarvis -install pixman/0.38.0 bisheng+mpi module load pixman/0.38.0 -export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/pixman/0.38.0/lib/pkgconfig:$PKG_CONFIG_PATH +export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/pixman/0.38.0/lib/pkgconfig:$PKG_CONFIG_PATH ./jarvis -install cairo/1.16.0 bisheng+mpi module load cairo/1.16.0 -export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/cairo/1.16.0/lib/pkgconfig:$PKG_CONFIG_PATH +export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cairo/1.16.0/lib/pkgconfig:$PKG_CONFIG_PATH ./jarvis -install R/4.4.3 bisheng+mpi module load R/4.4.3 @@ -35,18 +36,18 @@ unzip ${JARVIS_DOWNLOAD}/monocle3-master.zip -d ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} module load libjpeg/v9b module load libpng/1.6.37 module load proj/5.2.0 module load gdal/2.2.4 module load udunits/2.2.28 module load pixman/0.38.0 -export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/pixman/0.38.0/lib/pkgconfig:$PKG_CONFIG_PATH +export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/pixman/0.38.0/lib/pkgconfig:$PKG_CONFIG_PATH module load cairo/1.16.0 -export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/cairo/1.16.0/lib/pkgconfig:$PKG_CONFIG_PATH +export PKG_CONFIG_PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/cairo/1.16.0/lib/pkgconfig:$PKG_CONFIG_PATH module load R/4.4.3 [APP] @@ -58,9 +59,9 @@ case_dir = ${JARVIS_TMP_DOWNLOAD}/monocle3-master/tests [BUILD] R --vanilla -e 'if (!requireNamespace("BiocManager", quietly = TRUE)) install.packages("BiocManager", repos="https://cloud.r-project.org/"); q()' R --vanilla -e 'BiocManager::install(version = "3.20", ask=FALSE, update=TRUE); q()' -R --vanilla -e 'BiocManager::install("terra", configure.args="--with-proj-include=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/proj/5.2.0/include --with-proj-lib=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/proj/5.2.0/lib"); q()' -R --vanilla -e 'BiocManager::install("units", configure.args="--with-udunits2-lib=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/udunits/2.2.28/lib --with-udunits2-include=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/udunits/2.2.28/include"); q()' -R --vanilla -e 'BiocManager::install("sf", configure.args="--with-proj-include=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/proj/5.2.0/include --with-proj-lib=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.2/proj/5.2.0/lib"); q()' +R --vanilla -e 'BiocManager::install("terra", configure.args="--with-proj-include=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/proj/5.2.0/include --with-proj-lib=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/proj/5.2.0/lib"); q()' +R --vanilla -e 'BiocManager::install("units", configure.args="--with-udunits2-lib=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/udunits/2.2.28/lib --with-udunits2-include=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/udunits/2.2.28/include"); q()' +R --vanilla -e 'BiocManager::install("sf", configure.args="--with-proj-include=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/proj/5.2.0/include --with-proj-lib=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/proj/5.2.0/lib"); q()' R --vanilla -e 'BiocManager::install(c("BiocGenerics", "DelayedArray", "DelayedMatrixStats", "limma", "lme4", "S4Vectors", "SingleCellExperiment", "SummarizedExperiment", "batchelor", "HDF5Array", "ggrastr")); q()' R --vanilla -e 'install.packages(c("devtools", "testthat"), repos="https://cloud.r-project.org/"); q()' R CMD INSTALL . diff --git a/templates/moose/2025-09-05/moose.arm.kgcc.bisheng.hmpi.config b/templates/moose/2025-09-05/moose.arm.kgcc.bisheng.hmpi.config index b9a21d483b99ac2d398f4dce3bc50156781a4469..116e20e6d645a6dbef7def43488406ad55d7d151 100644 --- a/templates/moose/2025-09-05/moose.arm.kgcc.bisheng.hmpi.config +++ b/templates/moose/2025-09-05/moose.arm.kgcc.bisheng.hmpi.config @@ -10,10 +10,11 @@ module purge module use ./software/modulefiles ./jarvis -install kgcc/10.3.1 com module load kgcc/10.3.1 -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + + ./jarvis -install python3/3.9.9 bisheng mkdir -p ${JARVIS_ROOT}/software/apps/moose @@ -26,8 +27,10 @@ cp -ar ${JARVIS_DOWNLOAD}/moose ${JARVIS_TMP_DOWNLOAD}/moose module purge module use ./software/modulefiles module load kgcc/10.3.1 -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + module load python3/3.9.9 [APP] @@ -38,7 +41,7 @@ case_dir = ${JARVIS_TMP_DOWNLOAD}/moose/test/tests/preconditioners/hmg [BUILD] export METHODS=opt -./scripts/update_and_rebuild_petsc.sh --skip-submodule-update --with-64-bit-indices --with-openmp=0 --with-mpi-dir=${JARVIS_MPI}/hmpi2.4.2-bisheng4.1.0/2.4.2 +./scripts/update_and_rebuild_petsc.sh --skip-submodule-update --with-64-bit-indices --with-openmp=0 MOOSE_JOBS=$(nproc) ./scripts/update_and_rebuild_libmesh.sh --skip-submodule-update MOOSE_JOBS=$(nproc) ./scripts/update_and_rebuild_wasp.sh --skip-submodule-update diff --git a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config index e674358ea17fcfbbae4588b03d4959cc3fe942bc..5c95b64f905f4c60f6348c0f0316cf194c166ce0 100644 --- a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config +++ b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config @@ -18,15 +18,15 @@ module use software/moduledeps/bisheng4.0.0-hmpi2.4.1 module add openblas/0.3.14 [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module add lapack-bisheng/3.8.0 export LAPACK_PATH=$LAPACK_BISHENG_PATH export CFLAGS="-Wno-implicit-function-declaration" -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module add openblas/0.3.14 export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH diff --git a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config index 6dc8834777795c748323258c0a077488cc7144f9..29918c831336198c79b8639217b4a4a4384b3fef 100644 --- a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config +++ b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config @@ -6,31 +6,31 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz [DEPENDENCY] -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort ./jarvis -install package/lapack/3.8.0/bisheng/ bisheng -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module add lapack-bisheng/3.8.0 export LAPACK_PATH=$LAPACK_BISHENG_PATH export CFLAGS="-Wno-implicit-function-declaration" ./jarvis -install package/openblas/0.3.14 bisheng+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module add openblas/0.3.14 [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module add lapack-bisheng/3.8.0 export LAPACK_PATH=$LAPACK_BISHENG_PATH export CFLAGS="-Wno-implicit-function-declaration" -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module add openblas/0.3.14 export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH diff --git a/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config b/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config index 5d087f6e48122e62b55a4652a56ba60f0fd0cfcb..5c941edb097390750167eacaaf3cbbcf7b8c9e41 100644 --- a/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config +++ b/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config @@ -6,8 +6,8 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi module add gcc/kml2.5.0/kml @@ -15,7 +15,7 @@ module unload gcc/kml2.5.0/kblas/pthread module add gcc/kml2.5.0/kblas/omp [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi module add gcc/kml2.5.0/kml @@ -40,7 +40,7 @@ tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz yum install numactl-libs -y cd mopac-22.0.4 mkdir build && cd build -export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib +export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib cmake -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/gcc12.3.1/hmpi2.4.3/mopac/22.0.4 .. -DCMAKE_EXE_LINKER_FLAGS="-L$KML_LIB_PATH -L$KML_LIB_PATH/${kp} -lkml_rt -lklapack_full -lkscalapack_full" make -j make install diff --git a/templates/mpb/1.11.1/data.mpb.arm.cpu.config b/templates/mpb/1.11.1/data.mpb.arm.cpu.config index b241c1b93ab0bbad4163d84fffa6e4436ae8af4b..bfc3e282a96814b353babb52703fdbee0612a899 100644 --- a/templates/mpb/1.11.1/data.mpb.arm.cpu.config +++ b/templates/mpb/1.11.1/data.mpb.arm.cpu.config @@ -14,16 +14,16 @@ mpb/1.11.1 https://github.com/NanoComp/mpb/archive/v1.11.1.tar.gz mpb-v1.11.1.ta set -e set -x module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi export MPB_DEPENDENCIES_DIR=${JARVIS_ROOT}/MPB_DEPENDENCIES export MPB_DIR=${JARVIS_ROOT}/software/apps/bisheng/mpb/1.11.1 export PATH=${MPB_DEPENDENCIES_DIR}/bin:${MPB_DIR}/bin:$PATH diff --git a/templates/must/1.8.0/data.must.arm.cpu.kgcc.config b/templates/must/1.8.0/data.must.arm.cpu.kgcc.config index 62ef231bc3cf797b30e6b1f7ab14be34f3a42f5b..fb3b3c5c14a55f68055809bca77d56656c5daa5d 100644 --- a/templates/must/1.8.0/data.must.arm.cpu.kgcc.config +++ b/templates/must/1.8.0/data.must.arm.cpu.kgcc.config @@ -9,8 +9,8 @@ set -e set -x yum install cmake make texinfo -y module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` export CXX=`which g++` @@ -29,7 +29,7 @@ tar -xvf ${JARVIS_DOWNLOAD}/MUST-v1.8.0-rc1.tar.gz [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` export CXX=`which g++` diff --git a/templates/namd/2.13/data.namd.arm.cpu.config b/templates/namd/2.13/data.namd.arm.cpu.config index 18b225858e86f3f84b0513528a5ef546558322d8..a1a12701a0a20adcce954c283615cd210462d033 100644 --- a/templates/namd/2.13/data.namd.arm.cpu.config +++ b/templates/namd/2.13/data.namd.arm.cpu.config @@ -6,41 +6,41 @@ namd/2.13 https://www.ks.uiuc.edu/Research/namd/2.13/download/412487/NAMD_2.13_S tcl/8.5 http://www.ks.uiuc.edu/Research/namd/libraries/tcl8.5.9-linux-arm64-threaded.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx ./jarvis -install package/fftw/3.3.8 bisheng+mpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load fftw/3.3.8 [ENV] -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load fftw/3.3.8 -export PATH=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/namd/Linux-ARM64-clang:$PATH +export PATH=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd/Linux-ARM64-clang:$PATH [APP] app_name = namd -build_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/namd -binary_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/namd/Linux-ARM64-${CXX} +build_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd +binary_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd/Linux-ARM64-${CXX} case_dir = ${JARVIS_TMP}/stmv [BUILD] set -x export CC=mpicc FC=mpifort CXX=mpicxx -mkdir -p ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd -cd ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd -rm -rf ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd/* +mkdir -p ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd +cd ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd +rm -rf ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd/* tar -xf ${JARVIS_DOWNLOAD}/NAMD_2.13_Source.tar.gz -export installdir=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd -export sourcedir=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd/NAMD_2.13_Source -cd ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/namd/NAMD_2.13_Source +export installdir=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd +export sourcedir=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd/NAMD_2.13_Source +cd ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd/NAMD_2.13_Source #安装charm-6.10.2.tar tar -xvf charm-6.8.2.tar @@ -122,7 +122,7 @@ echo "Install is success install_dir: $installdir" [CLEAN] -rm -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/namd +rm -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/namd [RUN] run = diff --git a/templates/ncview/2.1.5/data.ncview.arm.cpu.config b/templates/ncview/2.1.5/data.ncview.arm.cpu.config index bbda8325bf2af8fc7781e1704fc8ff668f036926..136943743cd8efe72dd4166508550868588f3430 100644 --- a/templates/ncview/2.1.5/data.ncview.arm.cpu.config +++ b/templates/ncview/2.1.5/data.ncview.arm.cpu.config @@ -8,30 +8,30 @@ ncview/2.1.5 https://src.fedoraproject.org/repo/pkgs/ncview/ncview-2.1.5.tar.gz/ set -x set -e module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi module use software/moduledeps ./jarvis -install hdf5/1.10.1/clang clang+mpi -module add bisheng4.1.0-hmpi2.4.3/hdf5-clang/1.10.1 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/hdf5-clang/1.10.1 ./jarvis -install pnetcdf/1.12.3 clang+mpi -module add bisheng4.1.0-hmpi2.4.3/pnetcdf/1.12.3 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/pnetcdf/1.12.3 ./jarvis -install netcdf/4.7.0/clang clang+mpi ./jarvis -install udunits/2.2.28 clang ./jarvis -install libexpat/r-2.4.7 clang [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module add bisheng/compiler4.1.0/bishengmodule -module add bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule +module add bisheng/hmpi${HMPI_VERSION}/hmpi module use software/moduledeps -module add bisheng4.1.0-hmpi2.4.3/hdf5-clang/1.10.1 -module add bisheng4.1.0-hmpi2.4.3/pnetcdf/1.12.3 -module add bisheng4.1.0-hmpi2.4.3/netcdf-clang/4.7.0 -module add bisheng4.1.0/udunits/2.2.28 -module add bisheng4.1.0/libexpat/r-2.4.7 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/hdf5-clang/1.10.1 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/pnetcdf/1.12.3 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/netcdf-clang/4.7.0 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/udunits/2.2.28 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/libexpat/r-2.4.7 export PATH=${JARVIS_ROOT}/software/apps/bisheng/ncview/2.1.5/bin:$PATH mkdir -p ${JARVIS_ROOT}/case/ncview diff --git a/templates/nwchem/6.8.1/data.nwchem.arm.cpu.hpckit.config b/templates/nwchem/6.8.1/data.nwchem.arm.cpu.hpckit.config index 3df60aca59716a7609740591814b566dd93b2326..b6aef8b016cad1b2269a909b427e04f23ffedaf6 100644 --- a/templates/nwchem/6.8.1/data.nwchem.arm.cpu.hpckit.config +++ b/templates/nwchem/6.8.1/data.nwchem.arm.cpu.hpckit.config @@ -6,33 +6,33 @@ nwchem/6.8.1 https://codeload.github.com/NWChemgit/NWChem/tar.gz/6.8.1-release n ga/5.6.5 https://github.com/edoapra/ga/releases/download/v5.6.5/ga-5.6.5.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi module load gcc/compiler12.3.1/gccmodule export CC=mpicc FC=mpifort CXX=mpicxx [ENV] -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi module load gcc/compiler12.3.1/gccmodule -export PATH=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/bin/LINUX64:$PATH +export PATH=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/bin/LINUX64:$PATH [APP] app_name = nwchem -build_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1 -binary_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/bin/LINUX64 -case_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/web/benchmarks/dft +build_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1 +binary_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/bin/LINUX64 +case_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/web/benchmarks/dft [BUILD] set -x -mkdir -p $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1 -rm -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/* -tar xf ${JARVIS_DOWNLOAD}/nwchem-6.8.1-release.tar.gz --strip-components 1 -C $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1 -cd $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1 -export NWCHEM_TOP=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1 +mkdir -p $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1 +rm -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/* +tar xf ${JARVIS_DOWNLOAD}/nwchem-6.8.1-release.tar.gz --strip-components 1 -C $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1 +cd $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1 +export NWCHEM_TOP=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1 export NWCHEM_TARGET=LINUX64 export NWCHEM_MODULES=all export USE_MPI=y @@ -46,11 +46,11 @@ make nwchem_config make FC=flang [CLEAN] -rm -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/* +rm -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/* [RUN] run = -binary = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/nwchem-6.8.1/bin/LINUX64/nwchem +binary = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/nwchem-6.8.1/bin/LINUX64/nwchem nodes = 1 [BATCH] diff --git a/templates/openbabel/3.1.1/data.openbabel.arm.cpu.bisheng.hmpi.config b/templates/openbabel/3.1.1/data.openbabel.arm.cpu.bisheng.hmpi.config index 1f7559a0dd70ab85628741cb32a33efd34c1c040..1c7522cc271e2821dc141a18d0ffaa41b306c6b1 100644 --- a/templates/openbabel/3.1.1/data.openbabel.arm.cpu.bisheng.hmpi.config +++ b/templates/openbabel/3.1.1/data.openbabel.arm.cpu.bisheng.hmpi.config @@ -10,15 +10,15 @@ set -e set -x yum install time glibc-headers -y -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install boost/1.72.0/clang clang -module use software/moduledeps/bisheng4.1.0 +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load boost-clang/1.72.0 export Boost_INCLUDE_PATH=${BOOST_CLANG_PATH}/include tar -vzxf ${JARVIS_DOWNLOAD}/openbabel-3-1-1.tar.gz @@ -26,13 +26,13 @@ tar xvf ${JARVIS_DOWNLOAD}/eigen-3.4.0.tar.gz mv eigen-3.4.0 ${JARVIS_ROOT}/openbabel-openbabel-3-1-1/ [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use software/moduledeps/bisheng4.1.0 +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load boost-clang/1.72.0 export Boost_INCLUDE_PATH=${BOOST_CLANG_PATH}/include diff --git a/templates/openfoam/11/data.openfoam.new.SVE.cpu.config b/templates/openfoam/11/data.openfoam.new.SVE.cpu.config index 2dfa85ef3e80f75f8b6d3717d435b7235b55d8ce..15f6f56e0c8b7bc87f3bff3cf6acad46b210d64d 100644 --- a/templates/openfoam/11/data.openfoam.new.SVE.cpu.config +++ b/templates/openfoam/11/data.openfoam.new.SVE.cpu.config @@ -9,32 +9,32 @@ ThirdParty/v11 https://github.com/OpenFOAM/ThirdParty-11/archive/refs/tags/versi set -x set -e -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx -source ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/etc/bashrc +source ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/etc/bashrc [APP] app_name = OpenFOAM -build_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11 +build_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11 binary_dir = -case_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/tutorials/incompressibleFluid/motorBike/motorBike +case_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/tutorials/incompressibleFluid/motorBike/motorBike [BUILD] -tar -xvf ${JARVIS_DOWNLOAD}/OpenFOAM-11.tar.gz -C ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/ -tar -xvf ${JARVIS_DOWNLOAD}/ThirdParty-11.tar.gz -C ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/ +tar -xvf ${JARVIS_DOWNLOAD}/OpenFOAM-11.tar.gz -C ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ +tar -xvf ${JARVIS_DOWNLOAD}/ThirdParty-11.tar.gz -C ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ -cd ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/ +cd ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ rm -rf OpenFOAM-11 ThirdParty-11 @@ -71,8 +71,8 @@ LOG_FILE="openfoam-proformance.log" #$RUN_TOOL "Allrun " "./Allrun" $LOG_FILE -sed -i "149s ( mpirun --allow-run-as-root -np $nProcs $APP_RUN -parallel "$@" < /dev/null > log.$LOG_SUFFIX 2>&1 ) " ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/bin/tools/RunFunctions - sed -i '149s/^/ /' ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/bin/tools/RunFunctions +sed -i "149s ( mpirun --allow-run-as-root -np $nProcs $APP_RUN -parallel "$@" < /dev/null > log.$LOG_SUFFIX 2>&1 ) " ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/bin/tools/RunFunctions + sed -i '149s/^/ /' ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/bin/tools/RunFunctions ./Allclean @@ -102,8 +102,8 @@ LOG_FILE="openfoam-proformance.log" #执行每个命令并统计性能 -sed -i "149s ( mpirun --allow-run-as-root -np \$nProcs \$APP_RUN -parallel "\$@" < /dev/null > log.\$LOG_SUFFIX 2>&1 ) " ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/bin/tools/RunFunctions +sed -i "149s ( mpirun --allow-run-as-root -np \$nProcs \$APP_RUN -parallel "\$@" < /dev/null > log.\$LOG_SUFFIX 2>&1 ) " ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/bin/tools/RunFunctions - sed -i '149s/^/ /' ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/OpenFOAM-11/bin/tools/RunFunctions + sed -i '149s/^/ /' ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/OpenFOAM-11/bin/tools/RunFunctions #$RUN_TOOL "Allrun " "./Allrun" $LOG_FILE echo "All commands executed. Performance log saved to $LOG_FILE" diff --git a/templates/palabos/2.1/data.palabos-common.arm.cpu.config b/templates/palabos/2.1/data.palabos-common.arm.cpu.config index 5777f62473eca5d8c78e1cce42d8d7a90bfd981d..d1bbdb8a3862e579bbc31c0b5deeaddab0038734 100644 --- a/templates/palabos/2.1/data.palabos-common.arm.cpu.config +++ b/templates/palabos/2.1/data.palabos-common.arm.cpu.config @@ -6,14 +6,14 @@ palabos/2.1 https://gitlab.com/unigespc/palabos/-/archive/v2.1r0/palabos-v2.1r0. [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=clang CXX=clang++ FC=flang ./jarvis -install cmake/3.23.1 clang -module use software/moduledeps/bisheng4.1.0 +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load cmake/3.23.1 yum install ImageMagick -y @@ -21,23 +21,23 @@ yum install ImageMagick -y module add python3/3.6.8 [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use software/moduledeps/bisheng4.1.0 +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load cmake/3.23.1 module add python3/3.6.8 export CC=clang CXX=clang++ FC=flang -export PATH=${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/showCases/cavity2d:$PATH -export PATH=${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/showCases/boussinesqThermal3d:$PATH -export PATH=${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/benchmarks/cavity3d:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/showCases/cavity2d:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/showCases/boussinesqThermal3d:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/benchmarks/cavity3d:$PATH [APP] app_name = palabos -build_dir = ${JARVIS_LIBS}/bisheng4.1.0 -binary_dir = ${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0 -case_dir = ${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/showCases +build_dir = ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} +binary_dir = ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0 +case_dir = ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/showCases [BUILD] rm palabos-v2.1r0 -rf @@ -45,9 +45,9 @@ unzip ${JARVIS_DOWNLOAD}/palabos-v2.1r0.zip cd palabos-v2.1r0 cd examples/showCases/cavity2d make -j 2>&1 |tee make.log -cd ${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/showCases/boussinesqThermal3d +cd ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/showCases/boussinesqThermal3d make -j 2>&1 |tee make.log -cd ${JARVIS_LIBS}/bisheng4.1.0/palabos-v2.1r0/examples/benchmarks/cavity3d +cd ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/palabos-v2.1r0/examples/benchmarks/cavity3d sed -n "s|sed::max( (plint)3|std:max( (plint)1000|p" ./cavity3d.cpp sed -i "s|sed::max( (plint)3|std:max( (plint)1000|" ./cavity3d.cpp make -j128 2>&1 |tee make128.log diff --git a/templates/plink/1.9/data.plink.arm-920.cpu.config b/templates/plink/1.9/data.plink.arm-920.cpu.config index 951e6aa47592864642b2a045b3e951336c98ee19..82d6b93400376a6946d8409027f6c4aeb8644545 100644 --- a/templates/plink/1.9/data.plink.arm-920.cpu.config +++ b/templates/plink/1.9/data.plink.arm-920.cpu.config @@ -8,8 +8,8 @@ plink/1.9 https://github.com/chrchang/plink-ng/archive/refs/heads/master.zip pli dnf install openblas-devel zstd-devel -y module purge -./jarvis -install hpckit/24.0.0 com -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles module load gcc/compiler12.3.1/gccmodule module load gcc/kml2.5.0/kml @@ -19,7 +19,7 @@ unzip ${JARVIS_DOWNLOAD}/plink-master.zip [ENV] module purge -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles module load gcc/compiler12.3.1/gccmodule module load gcc/kml2.5.0/kml @@ -30,9 +30,9 @@ binary_dir = ${JARVIS_TMP_DOWNLOAD}/plink-ng-master/bin case_dir = [BUILD] -grep -rl "\-llapack -lblas -lcblas -latlas" | xargs sed -i 's%\-llapack -lblas -lcblas -latlas%-L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' -grep -rl "\-llapack -lcblas -lblas" | xargs sed -i 's%\-llapack -lcblas -lblas%\-L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' -grep -rl "\-llapack -lf77blas -latlas" | xargs sed -i 's%\-llapack -lf77blas -latlas%\-L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/24.0.0/HPCKit/24.12.30/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' +grep -rl "\-llapack -lblas -lcblas -latlas" | xargs sed -i 's%\-llapack -lblas -lcblas -latlas%-L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' +grep -rl "\-llapack -lcblas -lblas" | xargs sed -i 's%\-llapack -lcblas -lblas%\-L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' +grep -rl "\-llapack -lf77blas -latlas" | xargs sed -i 's%\-llapack -lf77blas -latlas%\-L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp}/kblas/pthread -L\${JARVIS_COMPILER}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/gcc/lib/${kp} -lkblas -lklapack_full -fopenmp%g' sed -i 's%cblas.h%kblas.h%g' 1.9/plink_matrix.h sed -i 's%cblas.h%kblas.h%g' 2.0/plink2_matrix.h cd 1.9/ diff --git a/templates/proteinmpnn/0.1.3/proteinmpnn.arm.py39.config b/templates/proteinmpnn/0.1.3/proteinmpnn.arm.py39.config index 8293e6e852622a1aaaefa867dd6772fc9842e79c..3f826a6bee82e8304139a55989b6710af202b7f1 100644 --- a/templates/proteinmpnn/0.1.3/proteinmpnn.arm.py39.config +++ b/templates/proteinmpnn/0.1.3/proteinmpnn.arm.py39.config @@ -8,8 +8,9 @@ ProteinMPNN/main ${JARVIS_PROXY}/dauparas/ProteinMPNN/archive/refs/tags/v1.0.1.t [DEPENDENCY] module purge module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 @@ -18,8 +19,9 @@ tar -zxvf ${JARVIS_DOWNLOAD}/ProteinMPNN-1.0.1.tar.gz -C ${JARVIS_TMP_DOWNLOAD}/ [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 [APP] diff --git a/templates/protobuf/27.2/data.protobuf.arm-920.cpu.config b/templates/protobuf/27.2/data.protobuf.arm-920.cpu.config index 033c1d2d557b031864e1b815fdaf26460be63db7..48f761b4f2d65358229c65d1ef83c2bacff4e7ff 100644 --- a/templates/protobuf/27.2/data.protobuf.arm-920.cpu.config +++ b/templates/protobuf/27.2/data.protobuf.arm-920.cpu.config @@ -13,18 +13,20 @@ set -x yum install binutils -y -./jarvis -install bisheng/4.1.0 com -module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + CUR_PATH=$(pwd) export JARVIS_ROOT=${CUR_PATH} diff --git a/templates/prottest/3.4.2/data.prottest.arm.cpu.config b/templates/prottest/3.4.2/data.prottest.arm.cpu.config index e10bbf019e518594a410f54300eb3bb63d3a018d..4f2655f0d314208f6bde30b9b0bf3eb2ec17d849 100644 --- a/templates/prottest/3.4.2/data.prottest.arm.cpu.config +++ b/templates/prottest/3.4.2/data.prottest.arm.cpu.config @@ -9,12 +9,12 @@ set -e set -x yum install -y ant module purge -./jarvis -install hpckit/24.0.0 com -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 ./jarvis -install phyml/3.3 bisheng+mpi module load phyml/3.3 @@ -23,9 +23,9 @@ tar -xzvf ${JARVIS_DOWNLOAD}/prottest3-3.4.2-release.tar.gz [ENV] module purge -module use ${JARVIS_ROOT}/software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ${JARVIS_ROOT}/software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load phyml/3.3 [APP] diff --git a/templates/psi4/1.3.2/data.psi4-common.arm.cpu.config b/templates/psi4/1.3.2/data.psi4-common.arm.cpu.config index 23c4eec9c38270e59ce8362473a900e3a88f07cf..ee2b167635b425ea3bccaa4f47b3fc5d2ff3cb25 100644 --- a/templates/psi4/1.3.2/data.psi4-common.arm.cpu.config +++ b/templates/psi4/1.3.2/data.psi4-common.arm.cpu.config @@ -6,8 +6,8 @@ psi4/1.3.2 https://github.com/psi4/psi4/archive/v1.3.2.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi diff --git a/templates/qe/6.5/data.qe.arm.cpu.opt.config b/templates/qe/6.5/data.qe.arm.cpu.opt.config index 6558a4fe705e7d75e520b68869079cd017ae55fb..3dc535f7ddb3b2298417db1e95f56ec487c9f298 100644 --- a/templates/qe/6.5/data.qe.arm.cpu.opt.config +++ b/templates/qe/6.5/data.qe.arm.cpu.opt.config @@ -6,19 +6,19 @@ qe/6.5 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.5.tar.gz q-e-qe-6.5.tar.gz [DEPENDENCY] module purge -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.5.tar.gz [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi -export KML_LIB=$JARVIS_UTILS/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib +export KML_LIB=$JARVIS_UTILS/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib export BLAS_PATH=$KML_LIB/${kp}/kblas/omp export LAPACK_PATH=$KML_LIB/${kp} export KM_LIB=$KML_LIB/noarch @@ -26,7 +26,7 @@ export KM_LIB=$KML_LIB/noarch export BLAS_LIBS="-L$BLAS_PATH -lkblas" export LAPACK_LIBS="-L$LAPACK_PATH -L$KM_LIB -lkm -lkscalapack_full -lklapack_full" -export PATH=${JARVIS_LIBS}/bisheng4.1.0/qe/7.3/bin:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3/bin:$PATH export LD_LIBRARY_PATH=$LAPACK_PATH:$KM_LIB:$BLAS_PATH:$LD_LIBRARY_PATH [APP] @@ -36,7 +36,7 @@ binary_dir = $JARVIS_ROOT/q-e-qe-6.5/bin/ case_dir = $JARVIS_ROOT/workloads/QE/qe-test/ [BUILD] -./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng4.1.0/qe/7.3 +./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3 sed -i 's/gfortran/flang/g' make.inc make -j pwall make install diff --git a/templates/qe/7.3/data.qe-common.arm.cpu.config b/templates/qe/7.3/data.qe-common.arm.cpu.config index 09accf69dc390d76f0494530188976f6b1deb680..a0f3d7d53890eccefa5deb7d472548d208d151dc 100644 --- a/templates/qe/7.3/data.qe-common.arm.cpu.config +++ b/templates/qe/7.3/data.qe-common.arm.cpu.config @@ -7,19 +7,19 @@ bench/master $JARVIS_PROXY/QEF/benchmarks/archive/refs/heads/master.zip [DEPENDENCY] module purge -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi -export KML_LIB=$JARVIS_UTILS/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib +export KML_LIB=$JARVIS_UTILS/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib export BLAS_PATH=$KML_LIB/${kp}/kblas/omp export LAPACK_PATH=$KML_LIB/${kp} export KM_LIB=$KML_LIB/noarch @@ -27,14 +27,14 @@ export KM_LIB=$KML_LIB/noarch export BLAS_LIBS="-L$BLAS_PATH -lkblas" export LAPACK_LIBS="-L$LAPACK_PATH -L$KM_LIB -lkm -lkscalapack_full -lklapack_full" -export PATH=${JARVIS_LIBS}/bisheng4.1.0/qe/7.3/bin:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3/bin:$PATH export LD_LIBRARY_PATH=$LAPACK_PATH:$KM_LIB:$BLAS_PATH:$LD_LIBRARY_PATH [APP] app_name = QE build_dir = ${JARVIS_TMP} -binary_dir = ${JARVIS_LIBS}/bisheng4.1.0/qe/7.3/bin +binary_dir = ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3/bin case_dir = ${JARVIS_ROOT}/workloads/benchmarks-master [BUILD] @@ -42,7 +42,7 @@ rm q-e-qe-7.3 -rf tar -xvf ${JARVIS_DOWNLOAD}/qe-7.3.tar.gz cd q-e-qe-7.3 -./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng4.1.0/qe/7.3 +./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3 sed -i 's/gfortran/flang/g' make.inc make -j pwall make install diff --git a/templates/qgis/3.34.7/data.qgis.arm.cpu.config b/templates/qgis/3.34.7/data.qgis.arm.cpu.config index 29f035d36481f62707dc7616637b732513ce9c82..765138fbd42364e8078031bc2fbae4d20f8b8a47 100644 --- a/templates/qgis/3.34.7/data.qgis.arm.cpu.config +++ b/templates/qgis/3.34.7/data.qgis.arm.cpu.config @@ -8,16 +8,16 @@ qgis/3.34.7 https://github.com/qgis/QGIS/archive/refs/tags/final-3_34_7.zip QGIS set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -./jarvis -install hmpi/2.4.2 bisheng -module load hmpi/2.4.2 ./jarvis -install hdf5/1.12.0/clang bisheng+mpi module load hdf5-clang/1.12.0 @@ -26,7 +26,6 @@ module load hdf5-clang/1.12.0 module load gdal/3.4.1 pip3 install GDAL==3.4.1 -module load bisheng/4.1.0 ./jarvis -install pdal/2.3.0 bisheng module load pdal/2.3.0 @@ -52,12 +51,13 @@ unzip ${JARVIS_DOWNLOAD}/QGIS-final-3_34_7.zip [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 -module load hmpi/2.4.2 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CPATH=${HMPI_PATH}/include:$CPATH -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hdf5-clang/1.12.0 module load gdal/3.4.1 diff --git a/templates/qgis/3.34.7/data.qgis.arm.cpu.hpckit.config b/templates/qgis/3.34.7/data.qgis.arm.cpu.hpckit.config index cb0c881e8557fe52540f49624324d0578f45901d..9f31b98552f212eaca292837ddb83a6a6a644ec6 100644 --- a/templates/qgis/3.34.7/data.qgis.arm.cpu.hpckit.config +++ b/templates/qgis/3.34.7/data.qgis.arm.cpu.hpckit.config @@ -9,12 +9,12 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 com -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 ./jarvis -install hdf5/1.12.0/clang bisheng+mpi module load hdf5-clang/1.12.0 @@ -24,7 +24,7 @@ module load gdal/3.4.1 pip3 install GDAL==3.4.1 export CC=clang CXX=clang++ FC=flang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} ./jarvis -install pdal/2.3.0 bisheng module load pdal/2.3.0 @@ -50,16 +50,16 @@ unzip ${JARVIS_DOWNLOAD}/QGIS-final-3_34_7.zip [ENV] module purge -module use ./software/compiler/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +module use ./software/compiler/hpckit/${HPCKit_Version}/HPCKit/latest/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi export CPATH=${OPAL_PREFIX}/include:$CPATH -module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi2.4.3 module load hdf5-clang/1.12.0 module load gdal/3.4.1 -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load pdal/2.3.0 module load draco/1.5.2 export CPATH=${DRACO_PATH}/include:$CPATH diff --git a/templates/qmcpack/3.17.1/data.qmcpack-common.arm.cpu.config b/templates/qmcpack/3.17.1/data.qmcpack-common.arm.cpu.config index b4ea037ca65147b7c4bc115c35fe615588e6a77a..d41e9eed82829b8055a7c6d1d3c55c4d7f88fed5 100644 --- a/templates/qmcpack/3.17.1/data.qmcpack-common.arm.cpu.config +++ b/templates/qmcpack/3.17.1/data.qmcpack-common.arm.cpu.config @@ -7,16 +7,18 @@ qmcpack/3.17.1 ${JARVIS_PROXY}/QMCPACK/qmcpack/archive/refs/tags/v3.17.1.tar.gz [DEPENDENCY] set -e set -x -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any + + +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=clang CXX=clang++ FC=flang export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion" ./jarvis -install openblas/0.3.14 clang -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0 +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module add openblas/0.3.14 sed -i "8a sed -i '130c struct hash_base : std::__unary_function {};' ./boost/container_hash/hash.hpp" package/boost/1.72.0/clang/install.sh sed -i '11c ./b2 toolset=clang cxxflags="-stdlib=libc++ -Wno-enum-constexpr-conversion" linkflags="-stdlib=libc++" install --prefix=\$1 ' package/boost/1.72.0/clang/install.sh @@ -28,31 +30,31 @@ module load zlib/1.2.11 module load libxml2/2.10.1 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort ./jarvis -install fftw/3.3.8 clang+mpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3 +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load fftw/3.3.8 sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enable-parallel --enable-shared CFLAGS="-O3 -fPIC -Wno-incompatible-pointer-types-discards-qualifiers -Wno-non-literal-null-conversion -Wno-int-conversion -Wno-implicit-function-declaration" FCFLAGS="-O3 -fPIC" LDFLAGS="-Wl,--build-id"' package/hdf5/1.10.1/clang/install.sh ./jarvis -install hdf5/1.10.1/clang clang+mpi module load hdf5-clang/1.10.1 [ENV] -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use software/moduledeps/bisheng4.1.0 +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module add boost-clang/1.72.0 zlib/1.2.11 libxml2/2.10.1 module load openblas/0.3.14 -module use software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.10.1 fftw/3.3.8 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort -export PATH=${JARVIS_ROOT}/software/apps/bisheng4.1.0/hmpi2.4.3/qmcpack/3.17.1/bin:$PATH +export PATH=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qmcpack/3.17.1/bin:$PATH export PYTHONPATH=${JARVIS_ROOT}/qmcpack-3.17.1/nexus/lib:$PYTHONPATH [APP] app_name = qmcpack build_dir = ${JARVIS_ROOT} -binary_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0/hmpi2.4.3/qmcpack/3.17.1/bin -case_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0/hmpi2.4.3/qmcpack/3.17.1/examples/molecules/H2O/ +binary_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qmcpack/3.17.1/bin +case_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qmcpack/3.17.1/examples/molecules/H2O/ [BUILD] cd ${JARVIS_TMP} @@ -61,20 +63,20 @@ tar -xvf ${JARVIS_DOWNLOAD}/v3.17.1.tar.gz cd ${JARVIS_TMP}/qmcpack-3.17.1/build export CC=mpicc FC=mpifort CXX=mpicxx -export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.14/lib -lblas" +export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/openblas/0.3.14/lib -lblas" export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion" cmake \ -DCMAKE_BUILD_TYPE=Release \ --DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/bisheng4.1.0/hmpi2.4.3/qmcpack/3.17.1 \ --DLIBXML2_LIBRARY=${JARVIS_LIBS}/bisheng4.1.0/libxml2/2.10.1/lib/libxml2.so \ --DZLIB_LIBRARY=${JARVIS_LIBS}/bisheng4.1.0/zlib/1.2.11/lib/libz.so \ --DFFTW_HOME=${JARVIS_LIBS}/bisheng4.1.0/hmpi2.4.3/fftw/3.3.8 \ --DBOOST_ROOT=${JARVIS_LIBS}/bisheng4.1.0/boost-clang/1.72.0 \ +-DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qmcpack/3.17.1 \ +-DLIBXML2_LIBRARY=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/libxml2/2.10.1/lib/libxml2.so \ +-DZLIB_LIBRARY=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/zlib/1.2.11/lib/libz.so \ +-DFFTW_HOME=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8 \ +-DBOOST_ROOT=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0 \ ../ -sed -i '130c struct hash_base : std::unary_function {};' ${JARVIS_LIBS}/bisheng4.1.0/boost-clang/1.72.0/include/boost/container_hash/hash.hpp +sed -i '130c struct hash_base : std::unary_function {};' ${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0/include/boost/container_hash/hash.hpp make -j make install -cp -r ${JARVIS_TMP}/qmcpack-3.17.1/examples/ ${JARVIS_ROOT}/software/apps/bisheng4.1.0/hmpi2.4.3/qmcpack/3.17.1 +cp -r ${JARVIS_TMP}/qmcpack-3.17.1/examples/ ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qmcpack/3.17.1 [RUN] run = diff --git a/templates/relion/3.1.2/data.relion.arm.sve.cpu.config b/templates/relion/3.1.2/data.relion.arm.sve.cpu.config index ed3bdcc81347806ef84c0616e716e0d4747cf790..0a4bb8e0c27575e8eeff9a093b06ac475a5c34d6 100644 --- a/templates/relion/3.1.2/data.relion.arm.sve.cpu.config +++ b/templates/relion/3.1.2/data.relion.arm.sve.cpu.config @@ -5,10 +5,10 @@ relion/3.1.2 https://github.com/3dem/relion/archive/refs/tags/3.1.2.tar.gz relion-3.1.2.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc CXX=mpicxx FC=mpifort @@ -21,18 +21,18 @@ tar -xvf ${JARVIS_DOWNLOAD}/relion-3.1.2.tar.gz [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load fftw/3.3.8 -export PATH=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/relion-3.1.2/bin:$PATH +export PATH=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/relion-3.1.2/bin:$PATH [APP] app_name = relion -build_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/relion-3.1.2 -binary_dir = ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/relion-3.1.2/bin +build_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/relion-3.1.2 +binary_dir = ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/relion-3.1.2/bin case_dir = ${JARVIS_ROOT}/case/relion_benchmark [BUILD] @@ -41,7 +41,7 @@ cd ${JARVIS_TMP} cd relion-3.1.2 mkdir build && cd build -cmake -DCMAKE_C_FLAGS="-g -O3 -fopenmp -mllvm -force-customized-pipeline -mllvm -replace-sqrt-compare-by-square=true -fopenmp -mllvm -aarch64-enable-loop-data-prefetch=false -Wno-deprecated-declarations -msve-vector-bits=512 " -DCMAKE_CXX_FLAGS=" -g -O3 -fopenmp -mllvm -force-customized-pipeline -mllvm -replace-sqrt-compare-by-square=true -fopenmp -mllvm -aarch64-enable-loop-data-prefetch=false -Wno-deprecated-declarations -msve-vector-bits=512" -DFFTW_PATH=${KML_PATH}/include -DFFTW_INCLUDES=${KML_PATH}/include -DFFTW_LIBRARIES="${FFTW_PATH}/lib/libfftw3.so ${FFTW_PATH}/lib/libfftw3f.so" -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/relion-3.1.2 -DCUDA=OFF -DBUILD_SHARED_LIBS=OFF -DGUI=OFF -DFETCH_WEIGHTS=OFF -DFORCE_OWN_FFTW=OFF -DALTCPU=ON -DCMAKE_BUILD_TYPE=release ../ +cmake -DCMAKE_C_FLAGS="-g -O3 -fopenmp -mllvm -force-customized-pipeline -mllvm -replace-sqrt-compare-by-square=true -fopenmp -mllvm -aarch64-enable-loop-data-prefetch=false -Wno-deprecated-declarations -msve-vector-bits=512 " -DCMAKE_CXX_FLAGS=" -g -O3 -fopenmp -mllvm -force-customized-pipeline -mllvm -replace-sqrt-compare-by-square=true -fopenmp -mllvm -aarch64-enable-loop-data-prefetch=false -Wno-deprecated-declarations -msve-vector-bits=512" -DFFTW_PATH=${KML_PATH}/include -DFFTW_INCLUDES=${KML_PATH}/include -DFFTW_LIBRARIES="${FFTW_PATH}/lib/libfftw3.so ${FFTW_PATH}/lib/libfftw3f.so" -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/relion-3.1.2 -DCUDA=OFF -DBUILD_SHARED_LIBS=OFF -DGUI=OFF -DFETCH_WEIGHTS=OFF -DFORCE_OWN_FFTW=OFF -DALTCPU=ON -DCMAKE_BUILD_TYPE=release ../ make -j make install diff --git a/templates/rempi/1.1.0/data.rempi.arm.cpu.kgcc.config b/templates/rempi/1.1.0/data.rempi.arm.cpu.kgcc.config index 5c1479e78ee42467b7873e821781f42345e8bdc1..c48bbfe3accbae4a8f2fc66f27bb32198e9c5b6c 100644 --- a/templates/rempi/1.1.0/data.rempi.arm.cpu.kgcc.config +++ b/templates/rempi/1.1.0/data.rempi.arm.cpu.kgcc.config @@ -6,8 +6,8 @@ [DEPENDENCY] set -e set -x -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` @@ -20,7 +20,7 @@ mkdir test [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule export CC=`which gcc` export CXX=`which g++` diff --git a/templates/roms/3.6/roms.arm.cpu.config b/templates/roms/3.6/roms.arm.cpu.config index bf2a7b966945b76290a6692345a9bbf1899e434e..40ab07f8cefec563bf8382a01ffe10c0edf81b77 100644 --- a/templates/roms/3.6/roms.arm.cpu.config +++ b/templates/roms/3.6/roms.arm.cpu.config @@ -5,15 +5,15 @@ roms/3.6 https://github.com/myroms/roms/archive/refs/tags/roms-3.6.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/24.0.0/ any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=mpicc FC=mpifort CXX=mpicxx ./jarvis -install package/hdf5/1.12.0/clang bisheng+mpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 ./jarvis -install package/pnetcdf/1.11.2 bisheng+mpi module load pnetcdf/1.11.2 @@ -22,30 +22,30 @@ module load netcdf-clang/4.7.4 module load bisheng/kml2.5.0/kml bisheng/kml2.5.0/kblas/pthread [ENV] -module use ${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module load bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi -module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.1.0-hmpi2.4.3/ +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/ module load hdf5-clang/1.12.0 module load pnetcdf/1.11.2 module load netcdf-clang/4.7.4 module load bisheng/kml2.5.0/kml bisheng/kml2.5.0/kblas/pthread -export PATH=$JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin:$PATH +export PATH=$JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin:$PATH [APP] app_name = roms -build_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin -binary_dir = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin +build_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin +binary_dir = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin case_dir = ${JARVIS_TMP}/roms-roms-3.6/ROMS/External [BUILD] set -x cd ${JARVIS_TMP} tar -xf ${JARVIS_DOWNLOAD}/roms-3.6.tar.gz -mkdir -p ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin -export installdir=${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin -export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib -cd ${JARVIS_ROOT}/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin +mkdir -p ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin +export installdir=${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin +export KML_LIB_PATH=${JARVIS_ROOT}/software/utils/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib +cd ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin cp ${JARVIS_TMP}/roms-roms-3.6/ROMS/Bin/build.sh ./ cp ${JARVIS_TMP}/roms-roms-3.6/ROMS/Include/upwelling.h ./ sed -i '87s/^/#/' build.sh @@ -75,11 +75,11 @@ cd ${installdir} rm -rf Build build.sh upwelling.h [CLEAN] -rm -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin/* +rm -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin/* [RUN] run = -binary = $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/roms-3.6/bin/oceanM +binary = $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/roms-3.6/bin/oceanM nodes = 1 [BATCH] diff --git a/templates/sambamba/0.8.2/data.sambamba.arm.cpu.bisheng.config b/templates/sambamba/0.8.2/data.sambamba.arm.cpu.bisheng.config index 34556c10045b96d5234bb8610d25cf58f29b74a7..bd289422fb7528953af874705fb4481ee48ae589 100644 --- a/templates/sambamba/0.8.2/data.sambamba.arm.cpu.bisheng.config +++ b/templates/sambamba/0.8.2/data.sambamba.arm.cpu.bisheng.config @@ -10,10 +10,10 @@ chrom20 http://ftp.1000genomes.ebi.ac.uk/vol1/ftp/phase3/data/HG00100/alignment/ set -e set -x -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -28,10 +28,10 @@ export PATH=${JARVIS_ROOT}/ldc/ldc2-1.29.0-linux-aarch64/bin:$PATH export LIBRARY_PATH=${JARVIS_ROOT}/ldc/ldc2-1.29.0-linux-aarch64/lib:$LIBRARY_PATH [ENV] -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module purge -module add bisheng/compiler4.1.0/bishengmodule +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/scanpy/1.10.3/scanpy.arm.py39.config b/templates/scanpy/1.10.3/scanpy.arm.py39.config index a00150db13ec0d8c0359e97208db1e77351516e3..41ad54dbb3cfe60fed0b459222458957a0c87476 100644 --- a/templates/scanpy/1.10.3/scanpy.arm.py39.config +++ b/templates/scanpy/1.10.3/scanpy.arm.py39.config @@ -6,9 +6,11 @@ scanpy/1.10.3 https://files.pythonhosted.org/packages/09/b0/fa244677155c5535ea14 [DEPENDENCY] module purge -module use ./software/modulefiles -./jarvis -install bisheng/4.1.0 com -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + ./jarvis -install python3/3.9.9 bisheng module load python3/3.9.9 @@ -16,8 +18,9 @@ tar -zxvf ${JARVIS_DOWNLOAD}/scanpy-1.10.3.tar.gz -C ${JARVIS_TMP_DOWNLOAD} [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + module load python3/3.9.9 [APP] diff --git a/templates/scorep/8.0/scorep.arm.cpu.kgcc.hmpi.config b/templates/scorep/8.0/scorep.arm.cpu.kgcc.hmpi.config index 050eae2cf7acc1d010acc5e4049d38c909fee9d1..0b268c1d344a2c1481c8289a03124ae525ec3c0b 100644 --- a/templates/scorep/8.0/scorep.arm.cpu.kgcc.hmpi.config +++ b/templates/scorep/8.0/scorep.arm.cpu.kgcc.hmpi.config @@ -8,8 +8,8 @@ scorep/8.0 https://perftools.pages.jsc.fz-juelich.de/cicd/scorep/tags/scorep-8.0 set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which mpicc` export CXX=`which mpicxx` @@ -20,7 +20,7 @@ mkdir -p scorep [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi2.4.3/hmpi export CC=`which mpicc` export CXX=`which mpicxx` diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config index f3e7e19b714d34e3f8c17576a3e954e245ebe312..aa2bfbb06d1159b6f16c84c53c4745af1e45b27c 100644 --- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config +++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config @@ -9,24 +9,24 @@ source /root/.bashrc ln -s /usr/bin/python3 /usr/bin/python yum install -y cmake module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install openblas/0.3.23 clang module load openblas/0.3.23 -./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} export CC=`which mpicc` export CXX=`which mpicxx` export FC=`which gfortran` export F77=`which mpifort` ./jarvis -install lapack/3.8.0/bisheng clang module use ./software/moduledeps/bisheng4.0.0/ -export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0 +export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/lapack-bisheng/3.8.0 module load lapack-bisheng/3.8.0 ./jarvis -install scalapack/2.1.0/clang/ clang module load scalapack-clang/2.1.0 @@ -34,15 +34,16 @@ module load scalapack-clang/2.1.0 [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 -module load hmpi/2.4.2 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module use ./software/moduledeps/bisheng4.0.0/ -export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0 +export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/lapack-bisheng/3.8.0 module load lapack-bisheng/3.8.0 module load openblas/0.3.23 module load scalapack-clang/2.1.0 @@ -66,14 +67,14 @@ cd bs_hmpi_compiler bash ../Src/obj_setup.sh ../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler -sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.23/lib/libopenblas.a" arch.make +sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/openblas/0.3.23/lib/libopenblas.a" arch.make sed -i '35c\#BLAS_LIBS=-lblas' arch.make sed -i '36c\#LAPACK_LIBS=-llapack' arch.make -sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make +sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make -sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/4.1.0/lib -lmathlib -lm" arch.make +sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/compiler/bisheng/lib -lmathlib -lm" arch.make sed -i '45c\LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(OPENBLAS_LIBS) $(NETCDF_LIBS) $(MATH_LIBS)' arch.make diff --git a/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config index 3f0b85c2dfc29b556ec19a8a48ca5396a6c20527..11d9e3f568551210381cbf6d4ee206fc55ad625d 100644 --- a/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config +++ b/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config @@ -9,16 +9,17 @@ source /root/.bashrc ln -s /usr/bin/python3 /usr/bin/python yum install -y cmake module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` ./jarvis -install openblas/0.3.23 clang module load openblas/0.3.23 ./jarvis -install hmpi/2.4.2 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 export CC=`which mpicc` export CXX=`which mpicxx` @@ -26,7 +27,7 @@ export FC=`which gfortran` export F77=`which mpifort` ./jarvis -install lapack/3.8.0/bisheng clang module use ./software/moduledeps/bisheng4.0.0/ -export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0 +export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/lapack-bisheng/3.8.0 module load lapack-bisheng/3.8.0 ./jarvis -install scalapack/2.1.0/clang/ clang module load scalapack-clang/2.1.0 @@ -34,15 +35,15 @@ module load scalapack-clang/2.1.0 [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule export CC=`which clang` export CXX=`which clang++` export FC=`which flang` -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load hmpi/2.4.2 module use ./software/moduledeps/bisheng4.0.0/ -export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0 +export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/lapack-bisheng/3.8.0 module load lapack-bisheng/3.8.0 module load openblas/0.3.23 module load scalapack-clang/2.1.0 @@ -66,14 +67,14 @@ cd bs_hmpi_compiler bash ../Src/obj_setup.sh ../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler -sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.23/lib/libopenblas.a" arch.make +sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/openblas/0.3.23/lib/libopenblas.a" arch.make sed -i '35c\#BLAS_LIBS=-lblas' arch.make sed -i '36c\#LAPACK_LIBS=-llapack' arch.make -sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make +sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make -sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/4.1.0/lib -lmathlib -lm" arch.make +sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/compiler/bisheng/lib -lmathlib -lm" arch.make sed -i '45c\LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(OPENBLAS_LIBS) $(NETCDF_LIBS) $(MATH_LIBS)' arch.make diff --git a/templates/smoke/4.7/data.smoke.arm.cpu.config b/templates/smoke/4.7/data.smoke.arm.cpu.config index 22168e9cdce986cb4281f9653049bd5cb70c4483..125ea973282225f88664703932ff8e0d903f6005 100644 --- a/templates/smoke/4.7/data.smoke.arm.cpu.config +++ b/templates/smoke/4.7/data.smoke.arm.cpu.config @@ -10,15 +10,18 @@ ioapi/3.2 https://www.cmascenter.org/ioapi/download/ioapi-3.2.tar.gz [DEPENDENCY] yum install csh -y module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any + + +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles + +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort ./jarvis -install hdf5/1.12.0/clang bisheng+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi24.12.30 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi24.12.30 module load hdf5-clang/1.12.0 ./jarvis -install pnetcdf/1.14.0 bisheng+mpi module load pnetcdf/1.14.0 @@ -27,13 +30,13 @@ module load netcdf-clang/4.7.4 [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi24.12.30 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi24.12.30 module load hdf5-clang/1.12.0 module load pnetcdf/1.14.0 module load netcdf-clang/4.7.4 diff --git a/templates/snappy/1.2.0/data.snappy.arm-920.cpu.config b/templates/snappy/1.2.0/data.snappy.arm-920.cpu.config index 887564ca0cdf79df9052c4e7fd871fedaa141b66..bda0357a58717389092f07914a2f80fb6a94a52b 100644 --- a/templates/snappy/1.2.0/data.snappy.arm-920.cpu.config +++ b/templates/snappy/1.2.0/data.snappy.arm-920.cpu.config @@ -10,18 +10,19 @@ benchmark https://github.com/google/benchmark/archive/refs/tags/v1.7.1.zip bench set -e set -x -./jarvis -install bisheng/4.1.0 com +./jarvis -install hpckit/${HPCKIT_VERSION} any module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` [ENV] -module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule CUR_PATH=$(pwd) export JARVIS_ROOT=${CUR_PATH} diff --git a/templates/specfem3d_globe/7.0.0/data.specfem3d_globe.arm.cpu.bisheng.hmpi.config b/templates/specfem3d_globe/7.0.0/data.specfem3d_globe.arm.cpu.bisheng.hmpi.config index 8779821be0596f43a183216d9d5908f05f46e5d2..a5b60112825587f1775c455ba17de21d1112b149 100644 --- a/templates/specfem3d_globe/7.0.0/data.specfem3d_globe.arm.cpu.bisheng.hmpi.config +++ b/templates/specfem3d_globe/7.0.0/data.specfem3d_globe.arm.cpu.bisheng.hmpi.config @@ -9,9 +9,9 @@ set -e set -x module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -19,8 +19,8 @@ tar -xzvf ${JARVIS_DOWNLOAD}/specfem3d_globe-7.0.0.tar.gz [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` diff --git a/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config b/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config index c0220695e7fc4eaeaf0f8a51e78f993145e24534..2ea8f607acf1a295bbb0ea5151ffcee25a74faaf 100644 --- a/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config +++ b/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config @@ -40,7 +40,7 @@ case_dir = ${JARVIS_ROOT}/software/apps/sundials/examples/arkode/C_manyvector rm -rf build mkdir build cd build/ -cmake .. -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/sundials -DEXAMPLES_INSTALL_PATH=${JARVIS_ROOT}/software/apps/sundials/examples -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DENABLE_MPI=ON -DBUILD_FORTRAN_MODULE_INTERFACE=ON -DENABLE_LAPACK=ON -DBLAS_LIBRARIES=${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/${kp}/kblas/multi/libkblas.so/libkblas.so -DLAPACK_LIBRARIES=${JARVIS_UTILS}/hpckit/24.0.0/HPCKit/24.12.30/kml/bisheng/lib/${kp}/libklapack_full.so +cmake .. -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/apps/sundials -DEXAMPLES_INSTALL_PATH=${JARVIS_ROOT}/software/apps/sundials/examples -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -DENABLE_MPI=ON -DBUILD_FORTRAN_MODULE_INTERFACE=ON -DENABLE_LAPACK=ON -DBLAS_LIBRARIES=${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp}/kblas/multi/libkblas.so/libkblas.so -DLAPACK_LIBRARIES=${JARVIS_UTILS}/hpckit/${HPCKit_Version}/HPCKit/latest/kml/bisheng/lib/${kp}/libklapack_full.so make make install make test diff --git a/templates/swan/41.31/swan.singularity.arm.bisheng.SVE.cpu.config b/templates/swan/41.31/swan.singularity.arm.bisheng.SVE.cpu.config index 042e2b95533442736a0c53f9f73f7db0ede909c5..cabcf09dfd986334e0dea9f995e8a490c188a95a 100644 --- a/templates/swan/41.31/swan.singularity.arm.bisheng.SVE.cpu.config +++ b/templates/swan/41.31/swan.singularity.arm.bisheng.SVE.cpu.config @@ -9,15 +9,15 @@ set -x set -e module purge -./jarvis -install package/hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort ./jarvis -install hdf5/1.12.0/clang clang+mpi -module use ./software/moduledeps/bisheng4.1.0-hmpi24.12.30 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi24.12.30 module load hdf5-clang/1.12.0 ./jarvis -install pnetcdf/1.14.0 clang+mpi module load pnetcdf/1.14.0 @@ -27,13 +27,13 @@ export NETCDFROOT=$NETCDF_CLANG_PATH [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/24.12.30/modulefiles -module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi export CC=`which clang` export CXX=`which clang++` export FC=`which flang` export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort -module use ./software/moduledeps/bisheng4.1.0-hmpi24.12.30 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}-hmpi24.12.30 module load hdf5-clang/1.12.0 module load pnetcdf/1.14.0 module load netcdf-clang/4.7.4 diff --git a/templates/tophat2/2.1.1/data.tophat2.arm.cpu.config b/templates/tophat2/2.1.1/data.tophat2.arm.cpu.config index cc1307aa570ceb156eba4faf7a5e29dbf8eb4ca1..6d85eae4cf30a71ca6d7b81b8901ef0ce7485764 100644 --- a/templates/tophat2/2.1.1/data.tophat2.arm.cpu.config +++ b/templates/tophat2/2.1.1/data.tophat2.arm.cpu.config @@ -20,7 +20,7 @@ module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/mo module load bisheng/compiler${BISHENG_VERSION}/bishengmodule ./jarvis -install package/boost/1.72.0/clang clang module use software/moduledeps -module add bisheng4.1.0/boost-clang/1.72.0 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0 [ENV] module purge @@ -28,8 +28,8 @@ source ${JARVIS_ROOT}/software/utils/anaconda3/2023.3/etc/profile.d/conda.sh module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module use software/moduledeps -module add bisheng4.1.0/boost-clang/1.72.0 -module add bisheng4.1.0/bowtie2/2.4.1 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0 +module add bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/bowtie2/2.4.1 export PATH=${JARVIS_ROOT}/software/apps/bisheng/tophat2/2.1.1/bin:$PATH mkdir -p ${JARVIS_ROOT}/case @@ -50,7 +50,7 @@ tar -xf ${JARVIS_DOWNLOAD}/tophat-2.1.1.tar.gz cd tophat-2.1.1 sed -i "341s///g" src/juncs_db.cpp sed -i "2708s///g" src/tophat_reports.cpp -./configure --prefix=${JARVIS_ROOT}/software/apps/bisheng/tophat2/2.1.1 --with-boost=${JARVIS_LIBS}/bisheng4.1.0/boost-clang/1.72.0 +./configure --prefix=${JARVIS_ROOT}/software/apps/bisheng/tophat2/2.1.1 --with-boost=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/boost-clang/1.72.0 sed -i "263s/CXXFLAGS = /CXXFLAGS = -std=c++14 /g" src/Makefile sed -i "152s/CXXFLAGS = /CXXFLAGS = -std=c++14 /g" Makefile sed -i "2s/-g/-g -fPIC/g" src/samtools-0.1.18/Makefile diff --git a/templates/tvm/0.16.0/data.tvm.arm.cpu.config b/templates/tvm/0.16.0/data.tvm.arm.cpu.config index 735239c20dac88546ce72d7be6c659d58ad98a26..8b01507ed163ac2b58fcc4867331170e93fbff46 100644 --- a/templates/tvm/0.16.0/data.tvm.arm.cpu.config +++ b/templates/tvm/0.16.0/data.tvm.arm.cpu.config @@ -18,9 +18,11 @@ if [ ! -d "${JARVIS_ROOT}/tvm-0.16.0" ]; then git clone --recursive https://github.com/apache/tvm.git -b v0.16.0 "${JARVIS_ROOT}/tvm-0.16.0" fi -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=`which clang` export CXX=`which clang++` export FC=`which flang` @@ -29,7 +31,7 @@ export FC=`which flang` module load cmake/3.28.2 ./jarvis -install python3/3.9.9 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 pip3 install decorator -i https://mirrors.huaweicloud.com/repository/pypi/simple pip3 install pytest -i https://mirrors.huaweicloud.com/repository/pypi/simple @@ -59,11 +61,11 @@ set -e set -x module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module load cmake/3.28.2 -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 diff --git a/templates/tvm/0.16.0/data.tvm.arm.cpu.hpckit.config b/templates/tvm/0.16.0/data.tvm.arm.cpu.hpckit.config index 31ceb246907e122640abfbf4716922d7addd4b48..a6eee7f8b225a2c3fb9f4b7f6a30eec964c97611 100644 --- a/templates/tvm/0.16.0/data.tvm.arm.cpu.hpckit.config +++ b/templates/tvm/0.16.0/data.tvm.arm.cpu.hpckit.config @@ -29,7 +29,7 @@ module use software/modulefiles module load cmake/3.28.2 ./jarvis -install python3/3.9.9 clang -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 pip3 install decorator -i https://mirrors.huaweicloud.com/repository/pypi/simple pip3 install pytest -i https://mirrors.huaweicloud.com/repository/pypi/simple @@ -64,7 +64,7 @@ export FC=`which flang` module use ./software/modulefiles module load cmake/3.28.2 -module use ./software/moduledeps/bisheng4.1.0 +module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION} module load python3/3.9.9 diff --git a/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config b/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config index c31c3dc63471b1e8f72f8c9128ab5803f743bd8e..c45cc48e8f290e3a72dde0b76f88dece36603f04 100644 --- a/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config +++ b/templates/vaspkit/0.52/data.vaspkit.arm-920.cpu.config @@ -7,9 +7,11 @@ vaspkit/0.52 https://sourceforge.net/projects/vaspkit/files/Src/vaspkit.0.52.tar [DEPENDENCY] module purge -./jarvis -install bisheng/4.1.0 com -module use ./software/modulefiles -module load bisheng/4.1.0 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module purge +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule + export CC=clang CXX=clang++ FC=flang cd ${JARVIS_ROOT} @@ -18,8 +20,8 @@ tar -xzvf ${JARVIS_DOWNLOAD}/vaspkit.0.52.tar.gz [ENV] module purge -module use ./software/modulefiles -module load bisheng/4.1.0 +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule [APP] app_name = vaspkit diff --git a/templates/wannier_tools/2.7.1/wannier_tools.arm.hpckit.bisheng.hmpi.config b/templates/wannier_tools/2.7.1/wannier_tools.arm.hpckit.bisheng.hmpi.config index b8d702a80295ac80e016df6c77ac4f7be3374421..e0a9c4e80ee523cce743c1777e607cb63728a773 100644 --- a/templates/wannier_tools/2.7.1/wannier_tools.arm.hpckit.bisheng.hmpi.config +++ b/templates/wannier_tools/2.7.1/wannier_tools.arm.hpckit.bisheng.hmpi.config @@ -6,10 +6,10 @@ wannier_tools/2.7.1 ${JARVIS_PROXY}/quanshengwu/wannier_tools/archive/refs/tags/ [DEPENDENCY] module purge -./jarvis -install hpckit/24.0.0 any -module use ./software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi module load bisheng/kml2.5.0/kml module unload bisheng/kml2.5.0/kspblas/omp module unload bisheng/kml2.5.0/kvml/serial @@ -19,9 +19,9 @@ tar -zxvf ${JARVIS_DOWNLOAD}/wannier_tools-2.7.1.tar.gz -C ${JARVIS_TMP_DOWNLOAD [ENV] module purge -module use ./software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi +module use ./software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION}/hmpi module load bisheng/kml2.5.0/kml module unload bisheng/kml2.5.0/kspblas/omp module unload bisheng/kml2.5.0/kvml/serial @@ -40,7 +40,7 @@ case_dir = ${JARVIS_TMP_DOWNLOAD}/wannier_tools-2.7.1/examples/Bi2Se3 [BUILD] echo yes | cp Makefile.gfortran-mpi Makefile sed -i 's/^F90 =.*/F90 = mpif90 -cpp -DMPI/' Makefile -sed -i 's/^LIBS =.*/LIBS = -L\${JARVIS_UTILS}\/hpckit\/24.0.0\/HPCKit\/24.12.30\/kml\/bisheng\/lib -lkml_rt/' Makefile +sed -i 's/^LIBS =.*/LIBS = -L\${JARVIS_UTILS}\/hpckit\/${HPCKit_Version}\/HPCKit\/latest\/kml\/bisheng\/lib -lkml_rt/' Makefile sed -i '1285,1289d' module.f90 sed -i "1285c character(10) , dimension(magnetic_number_max, angular_number) :: orb_sign = reshape([character(10) :: '','','','s','','','','','','py','pz','px','','','','dxy','dyz','dz2','dxz','dx2-y2','','fy(3x2-y2)','fxyz','fyz2','fz3','fxz2','fz(x2-y2)','fx(x2-3y2)'], [magnetic_number_max, angular_number])" module.f90 make diff --git a/templates/wrf/4.6.0/data.wrf.cpu.sve.config b/templates/wrf/4.6.0/data.wrf.cpu.sve.config index 13b4db4d975a39e1be2f66ac98ff4dfda3f0dcdf..785f3ff4fc01207cb7a5e884d2307a76b589abc3 100644 --- a/templates/wrf/4.6.0/data.wrf.cpu.sve.config +++ b/templates/wrf/4.6.0/data.wrf.cpu.sve.config @@ -141,9 +141,9 @@ LOG_FILE="ww3-proformance.log" #复制run目录到运行目录 mv namelist.input namelist.input-bak -cp -rf $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/WRFV4.6.0/run/* ./ +cp -rf $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/WRFV4.6.0/run/* ./ ln -sf CAMtr_volume_mixing_ratio CAMtr_volume_mixing_ratio.SSP245 -ln -sf MPTABLE.TBL $JARVIS_ROOT/software/apps/bisheng4.1.0-hmpi2.4.3/WRFV4.6.0/phys/noahmp/parameters/MPTABLE.TBL +ln -sf MPTABLE.TBL $JARVIS_ROOT/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/WRFV4.6.0/phys/noahmp/parameters/MPTABLE.TBL mv namelist.input-bak namelist.input trdnum=4 mynp=32