From 9f03f9d9d5fe19915d33cf077fe3b8fa73e54c18 Mon Sep 17 00:00:00 2001 From: sunlock0653 Date: Fri, 7 Nov 2025 17:44:40 +0800 Subject: [PATCH] fix some hpckit problem --- data.config | 20 ------------ init.sh | 13 ++++++++ templates/BLAS-TESTER/dgemm.arm.config | 8 ++--- .../CP2K/8.2/data.CP2K.arm-new.cpu.config | 6 ++-- .../acesiii.arm.bisheng.hpckit.config | 27 ++++++++-------- .../berkeleygw.arm.bisheng.hpckit.config | 27 +++++++++------- .../cdo/1.9.8/cdo.arm.hpckit25.0.0.config | 6 ++-- .../coawst/data.coawst.arm_clang.cpu.config | 8 ++--- templates/cpmd/4.3/cpmd.arm.hpckit.config | 6 ++-- .../grapes/3.0.2/grapes.arm.cpu.hpckit.config | 8 ----- .../2025.3/data.gromacs.arm.cpu.config | 10 ++---- .../honpas/data.honpas.arm.cpu.kgcc.config | 12 +++---- .../data.lammps.arm.cpu.sve.hpckit.config | 8 ++--- .../1.2.9/megahit.arm.cpu.hpckit.config | 6 ++-- .../petsc/3.16/data.petsc.arm.cpu.config | 6 ++-- .../2.2.2/qp2.arm.bisheng.hpckit.py3.config | 12 +++---- .../qp2/2.2.2/qp2.arm.kgcc.hpckit.py3.config | 12 +++---- .../sundials.arm.hpckit.bisheng.hmpi.config | 30 ++++++++++-------- .../swan.singularity.arm.bisheng.cpu.config | 19 +++++++----- .../swan/41.51/swan.arm.bisheng.cpu.config | 6 ++-- .../tophat2/2.1.1/data.tophat2.arm.cpu.config | 12 ++++--- .../8.2.3/data.towhee.arm.cpu.hpckit.config | 8 ++--- .../tvm/0.16.0/data.tvm.arm.cpu.hpckit.config | 6 ++-- .../vasp/5.4.4/data.vasp.arm_clang.cpu.config | 16 +++++----- .../vasp/6.3.2/data.vasp.arm_clang.cpu.config | 20 ++++++------ .../vasp/6.5.1/data.vasp.arm_clang.cpu.config | 15 ++------- .../vasp/6.5.1/data.vasp.arm_gcc.cpu.config | 11 +------ .../data.wps.arm.cpu.bisheng.hmpi.config | 10 +++--- .../wrf/4.2/bisheng/data.wrf.arm.cpu.config | 10 +++--- templates/wrf/4.6.0/data.wrf.cpu.sve.config | 10 +++--- templates/wrf/4.7.1/data.wrf.arm.cpu.config | 19 +++--------- .../wrfda/3.9.1/data.wrfda-sve.arm.cpu.config | 10 +++--- templates/ww3/6.07.1/ww3.arm.cpu.config | 31 ++++++++++--------- 33 files changed, 197 insertions(+), 231 deletions(-) diff --git a/data.config b/data.config index a6fb1c29..de50f21c 100644 --- a/data.config +++ b/data.config @@ -8,15 +8,6 @@ qe/6.4 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.4.1.tar.gz qe-6.4.1.tar.gz set -e set -x -if [ ${UseLatest} -eq 0 ];then - HPCKIT_VERSION=25.1.0 -elif [ ${UseLatest} -eq 1 ];then - HPCKIT_VERSION=latest -else - echo "[ERROR] UseLatest=${UseLatest}, unsupported value." - exit 1 -fi - ./jarvis -install hpckit/${HPCKIT_VERSION} any module purge module use ./software/modulefiles @@ -25,17 +16,6 @@ rm -rf q-e-qe-6.4.1 tar -xzvf ${JARVIS_DOWNLOAD}/qe-6.4.1.tar.gz [ENV] -if [ ${UseLatest} -eq 0 ];then - HPCKIT_VERSION=25.1.0 -elif [ ${UseLatest} -eq 1 ];then - HPCKIT_VERSION=latest -else - echo "[ERROR] UseLatest=${UseLatest}, unsupported value." - 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 $2}'` module purge module use ./software/modulefiles module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule diff --git a/init.sh b/init.sh index 58e95419..0cfe1c77 100644 --- a/init.sh +++ b/init.sh @@ -40,6 +40,19 @@ else echo "not in kunpeng architecture" fi +#判断hpckit使用版本 +if [ ${UseLatest} -eq 0 ];then + HPCKIT_VERSION=25.1.0 +elif [ ${UseLatest} -eq 1 ];then + HPCKIT_VERSION=latest +else + echo "[ERROR] UseLatest=${UseLatest}, unsupported value." + 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}'` + #Install modules if ! type module >/dev/null 2>&1;then echo "Install environment-modules" diff --git a/templates/BLAS-TESTER/dgemm.arm.config b/templates/BLAS-TESTER/dgemm.arm.config index 8a826248..73cbebef 100644 --- a/templates/BLAS-TESTER/dgemm.arm.config +++ b/templates/BLAS-TESTER/dgemm.arm.config @@ -7,8 +7,8 @@ BLAS-Tester/1.0 $JARVIS_PROXY/xianyi/BLAS-Tester/archive/refs/heads/master.zip B [DEPENDENCY] set -x set -e -./jarvis -install hpckit/25.0.0 com -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} com +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/kml25.0.0/kml export CC=`which gcc` export CXX=`which g++` @@ -24,7 +24,7 @@ binary_dir = $JARVIS_ROOT/BLAS-Tester-master/bin case_dir = $JARVIS_ROOT/BLAS-Tester-master/bin [ENV] -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/kml25.0.0/kml export CC=`which gcc` export CXX=`which g++` @@ -33,7 +33,7 @@ export OMP_NUM_THREADS=1 export LD_LIBRARY_PATH=$KML_GCC_PATH/lib/kblas/omp:$LD_LIBRARY_PATH [BUILD] -make ARCH=ARM64 L2SIZE=524288 TEST_BLAS=$JARVIS_ROOT/software/compiler/hpckit/25.0.0/HPCKit/25.0.0/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/neon/kblas/multi/libkblas.so [CLEAN] make clean diff --git a/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config b/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config index ef1e03d2..bfedd649 100644 --- a/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config +++ b/templates/CP2K/8.2/data.CP2K.arm-new.cpu.config @@ -9,8 +9,8 @@ module purge module use ./software/modulefiles module use ./software/moduledeps/bisheng4.2.0 module use ./software/moduledeps/bisheng4.2.0-hmpi25.0.0 -./jarvis -install package/hpckit/25.0.0 any -module use ${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +./jarvis -install package/hpckit/${HPCKIT_VERSION} any +module use ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule export CC=clang CXX=clang++ FC=flang ./jarvis -install cmake/3.23.1 any @@ -44,7 +44,7 @@ module purge module use ./software/modulefiles module use ./software/moduledeps/bisheng4.2.0 module use ./software/moduledeps/bisheng4.2.0-hmpi25.0.0 -module use ${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +module use ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule export CC=clang CXX=clang++ FC=flang module load cmake/3.23.1 diff --git a/templates/acessiii/acesiii.arm.bisheng.hpckit.config b/templates/acessiii/acesiii.arm.bisheng.hpckit.config index dbcdbabd..bc62c40a 100644 --- a/templates/acessiii/acesiii.arm.bisheng.hpckit.config +++ b/templates/acessiii/acesiii.arm.bisheng.hpckit.config @@ -6,25 +6,26 @@ acesiii/master ${JARVIS_PROXY}/madbosun/acesiii/archive/refs/heads/master.zip ac [DEPENDENCY] module purge -./jarvis -install hpckit/24.0.0 any -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi -module load bisheng/kml2.5.0/kml -module unload bisheng/kml2.5.0/kspblas/omp -module unload bisheng/kml2.5.0/kvml/serial +./jarvis -install hpckit/${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 load bisheng/kml${HMPI_VERSION}/kml +module unload bisheng/kml${HMPI_VERSION}/kspblas/omp +module unload bisheng/kml${HMPI_VERSION}/kvml/serial mkdir -p ${JARVIS_ROOT}/software/apps unzip ${JARVIS_DOWNLOAD}/acesiii-master.zip -d ${JARVIS_ROOT}/software/apps/ [ENV] module purge -module use software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi -module load bisheng/kml2.5.0/kml -module unload bisheng/kml2.5.0/kspblas/omp -module unload bisheng/kml2.5.0/kvml/serial +module use ./software/modulefiles +module load hpckit${HMPI_VERSION}/bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load hpckit${HMPI_VERSION}/bisheng/hmpi${HMPI_VERSION}/release +module load bisheng/kml${HMPI_VERSION}/kml +module unload bisheng/kml${HMPI_VERSION}/kspblas/omp +module unload bisheng/kml${HMPI_VERSION}/kvml/serial [APP] app_name = acesiii 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 a3cbf4bb..fffc4736 100644 --- a/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config +++ b/templates/berkeleygw/3.0.1/berkeleygw.arm.bisheng.hpckit.config @@ -9,31 +9,36 @@ BerkeleyGW/3.0.1 [DEPENDENCY] 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/${HPCKit_Version}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule +module load bisheng/hmpi${HMPI_VERSION} +module load bisheng/kml${HMPI_VERSION}/kml + module use ./software/moduledeps -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi export CC=mpicc export CXX=mpicxx export FC=mpifort export F77=mpifort export F90=mpifort ./jarvis -install fftw/3.3.8 bisheng+mpi -module load bisheng4.1.0-hmpi2.4.3/fftw/3.3.8 -module load bisheng/kml2.5.0/kml +module load bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8 +module load bisheng/kml${HMPI_VERSION}/kml tar -zxvf ${JARVIS_DOWNLOAD}/BerkeleyGW-3.0.1.tar.gz -C ${JARVIS_TMP_DOWNLOAD} mkdir -p ${JARVIS_ROOT}/software/apps/berkeleygw [ENV] module purge -module use ./software/utils/hpckit/24.0.0/HPCKit/latest/modulefiles +module use ./software/utils/hpckit/${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 use ./software/moduledeps -module load bisheng/compiler4.1.0/bishengmodule -module load bisheng/hmpi2.4.3/hmpi -module load bisheng/kml2.5.0/kml -module load bisheng4.1.0-hmpi2.4.3/fftw/3.3.8 +module load bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/fftw/3.3.8 [APP] app_name = BerkeleyGW diff --git a/templates/cdo/1.9.8/cdo.arm.hpckit25.0.0.config b/templates/cdo/1.9.8/cdo.arm.hpckit25.0.0.config index b804799a..6f9a957b 100644 --- a/templates/cdo/1.9.8/cdo.arm.hpckit25.0.0.config +++ b/templates/cdo/1.9.8/cdo.arm.hpckit25.0.0.config @@ -5,8 +5,8 @@ cdo/1.9.8 https://code.mpimet.mpg.de/attachments/download/20826/cdo-1.9.8.tar.gz [DEPENDENCY] -./jarvis -install package/hpckit/25.0.0/ any -module use software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +./jarvis -install package/hpckit/${HPCKIT_VERSION}/ any +module use software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module purge module load bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi @@ -24,7 +24,7 @@ module load grib_api/1.21.0 [ENV] -module use ${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +module use ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module purge module load bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.2.0-hmpi25.0.0/ diff --git a/templates/coawst/data.coawst.arm_clang.cpu.config b/templates/coawst/data.coawst.arm_clang.cpu.config index cead7c44..02adc6bc 100644 --- a/templates/coawst/data.coawst.arm_clang.cpu.config +++ b/templates/coawst/data.coawst.arm_clang.cpu.config @@ -9,8 +9,8 @@ set -e set -x # basic system components module purge -./jarvis -install hpckit/25.0.0 com -module use ./software/compiler/hpckit/25.0.0/HPCKit/latest/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} com +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule module load bisheng/hmpi25.0.0/hmpi export CC="clang -Wno-implicit-function-declaration -Wno-incompatible-function-pointer-types" CXX=clang++ FC=flang @@ -28,7 +28,7 @@ tar -zxvf ${JARVIS_DOWNLOAD}/COAWST-x86.tar.gz [ENV] #!/bin/bash module purge -module use ${JARVIS_ROOT}/software/compiler/hpckit/25.0.0/HPCKit/latest/modulefiles +module use ${JARVIS_ROOT}/software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.2.0 module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.2.0-hmpi25.0.0 @@ -55,7 +55,7 @@ export MCT_LIBDIR= ${COAWST_INSTALL_PATH}/Lib/tool_libs/lib export MCT_INCDIR= ${COAWST_INSTALL_PATH}/Lib/tool_libs/include export NETCDF_FLIBS=`nc-config --flibs` -export KML_NOARCH=software/compiler/hpckit/25.0.0/HPCkit/25.0.0/kml/bisheng/lib/noarch +export KML_NOARCH=software/compiler/hpckit/${HPCKIT_VERSION}/HPCkit/${HPCKIT_VERSION}/kml/bisheng/lib/noarch COAWST_DIR=${JARVIS_ROOT}/COAWST-x86 diff --git a/templates/cpmd/4.3/cpmd.arm.hpckit.config b/templates/cpmd/4.3/cpmd.arm.hpckit.config index 169cd3f8..f9d69ff5 100644 --- a/templates/cpmd/4.3/cpmd.arm.hpckit.config +++ b/templates/cpmd/4.3/cpmd.arm.hpckit.config @@ -8,8 +8,8 @@ cpmd/4.3 ${JARVIS_PROXY}/CPMD-code/CPMD/archive/refs/tags/4.3.tar.gz set -e set -x module purge -./jarvis -install hpckit/25.0.0 com -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} com +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi export CC=`which gcc` export CXX=`which g++` @@ -29,7 +29,7 @@ tar -xzvf ${JARVIS_DOWNLOAD}/4.3.tar.gz [ENV] module purge -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi export CC=`which gcc` export CXX=`which g++` diff --git a/templates/grapes/3.0.2/grapes.arm.cpu.hpckit.config b/templates/grapes/3.0.2/grapes.arm.cpu.hpckit.config index c98ebe11..23a3d6d2 100644 --- a/templates/grapes/3.0.2/grapes.arm.cpu.hpckit.config +++ b/templates/grapes/3.0.2/grapes.arm.cpu.hpckit.config @@ -9,15 +9,7 @@ trams/3.02 https://github.com/jarviscanada/jarvis_data/releases/download/v0.0.1/ [DEPENDENCY] module purge -if [[ $UseLatest -eq 1 ]]; then - HPCKit_Version=latest -else - HPCKit_Version=25.0.0 -fi - ./jarvis -install hpckit/${HPCKit_Version}/ any -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 $2}'` module use software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module load bisheng/hmpi${HMPI_VERSION} diff --git a/templates/gromacs/2025.3/data.gromacs.arm.cpu.config b/templates/gromacs/2025.3/data.gromacs.arm.cpu.config index c1a2d880..f4fa687f 100644 --- a/templates/gromacs/2025.3/data.gromacs.arm.cpu.config +++ b/templates/gromacs/2025.3/data.gromacs.arm.cpu.config @@ -10,7 +10,7 @@ module purge if [[ $UseLatest -eq 1 ]]; then HPCKit_Version=latest else - HPCKit_Version=25.0.0 + HPCKit_Version=${HPCKIT_VERSION} fi ./jarvis -install hpckit/${HPCKit_Version}/ any ./jarvis -install cmake/3.28.2 any @@ -19,13 +19,7 @@ module load ./software/modulefiles/cmake/3.28.2 [ENV] module purge -if [[ $UseLatest -eq 1 ]]; then - HPCKit_Version=latest -else - HPCKit_Version=25.0.0 -fi -BISHENG_VERSION=`ls software/utils/hpckit/${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 $2}'` + module use software/utils/hpckit/${HPCKit_Version}/HPCKit/${HPCKit_Version}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule module load bisheng/hmpi${HMPI_VERSION} diff --git a/templates/honpas/data.honpas.arm.cpu.kgcc.config b/templates/honpas/data.honpas.arm.cpu.kgcc.config index 26876301..8058daaa 100644 --- a/templates/honpas/data.honpas.arm.cpu.kgcc.config +++ b/templates/honpas/data.honpas.arm.cpu.kgcc.config @@ -8,8 +8,8 @@ set -e set -x yum install -y cmake module purge -./jarvis -install hpckit/25.0.0 any -module use software/utils/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi gcc/kml25.0.0/kblas/multi gcc/kml25.0.0/kml export CC=`which gcc` export CXX=`which g++` @@ -19,7 +19,7 @@ git clone https://github.com/xmqin/HONPAS.git [ENV] module purge -module use software/utils/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +module use software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi gcc/kml25.0.0/kblas/multi gcc/kml25.0.0/kml export CC=`which gcc` export CXX=`which g++` @@ -46,9 +46,9 @@ rm -rf arch.make ln -s ../ARCH-HONPAS/honpas-gnu-openmpi.make arch.make sed -i '18s/.*/SIESTA_ARCH = aarch64/' arch.make sed -i '27s/.*/FFLAGS = -O2 -fPIC -ftree-vectorize -fallow-argument-mismatch/' arch.make -sed -i "42s|.*|BLAS_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/25.0.0/kml/gcc/lib/${kp}/kblas/multi -lkblas|" arch.make -sed -i "43s|.*|LAPACK_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/25.0.0/kml/gcc/lib/${kp} -lklapack_full|" arch.make -sed -i "44s|.*|SCALAPACK_LIBS= -L${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/25.0.0/kml/gcc/lib/${kp} -lkscalapack_full|" arch.make +sed -i "42s|.*|BLAS_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/gcc/lib/${kp}/kblas/multi -lkblas|" arch.make +sed -i "43s|.*|LAPACK_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/gcc/lib/${kp} -lklapack_full|" arch.make +sed -i "44s|.*|SCALAPACK_LIBS= -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/gcc/lib/${kp} -lkscalapack_full|" arch.make make -j8 [CLEAN] diff --git a/templates/lammps/2023.8.2/data.lammps.arm.cpu.sve.hpckit.config b/templates/lammps/2023.8.2/data.lammps.arm.cpu.sve.hpckit.config index 544296ce..7e809227 100644 --- a/templates/lammps/2023.8.2/data.lammps.arm.cpu.sve.hpckit.config +++ b/templates/lammps/2023.8.2/data.lammps.arm.cpu.sve.hpckit.config @@ -6,7 +6,7 @@ lammps/2023.8.2 https://download.lammps.org/tars/lammps-2Aug2023.tar.gz [DEPENDENCY] module purge -./jarvis -install package/hpckit/25.0.0/ any +./jarvis -install package/hpckit/${HPCKIT_VERSION}/ any module use ${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi bisheng/kml25.0.0/kml @@ -15,7 +15,7 @@ export CC=mpicc FC=mpifort CXX=mpicxx [ENV] module purge -module use ${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +module use ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi bisheng/kml25.0.0/kml export KML_FFT_THREAD_TYPE=OMP @@ -32,8 +32,8 @@ cd ${JARVIS_ROOT}/software/apps/bisheng4.2.0-hmpi25.0.0/ rm -rf lammps-2Aug2023 tar -xvf ${JARVIS_DOWNLOAD}/lammps-2Aug2023.tar.gz cd lammps-2Aug2023/src -HPCKIT=${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit -sed -i "10c\CCFLAGS = -g -O3 -fopenmp -mcpu=hip09 -mllvm -force-customized-pipeline=true -I${HPCKIT}/latest/compiler/bisheng/include/c++/v1 -L${JARVIS_ROOT}/software/utils/hpckit/25.0.0/HPCKit/latest/compiler/bisheng/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi" MAKE/Makefile.mpi +HPCKIT=${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit +sed -i "10c\CCFLAGS = -g -O3 -fopenmp -mcpu=hip09 -mllvm -force-customized-pipeline=true -I${HPCKIT}/latest/compiler/bisheng/include/c++/v1 -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/compiler/bisheng/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi" MAKE/Makefile.mpi sed -i "15c\LINKFLAGS = -g -O3 -fopenmp -mcpu=hip09 -mllvm -force-customized-pipeline=true -L${HPCKIT}/latest/compiler/bisheng/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi" MAKE/Makefile.mpi sed -i "53c\FFT_INC = -I${HPCKIT}/latest/kml/bisheng/include" MAKE/Makefile.mpi sed -i "54c\FFT_PATH = -L${HPCKIT}/latest/kml/bisheng/lib/${kp}" MAKE/Makefile.mpi diff --git a/templates/megahit/1.2.9/megahit.arm.cpu.hpckit.config b/templates/megahit/1.2.9/megahit.arm.cpu.hpckit.config index cfabdea9..fe2fdeeb 100644 --- a/templates/megahit/1.2.9/megahit.arm.cpu.hpckit.config +++ b/templates/megahit/1.2.9/megahit.arm.cpu.hpckit.config @@ -12,8 +12,8 @@ KunpengTrans.h https://raw.githubusercontent.com/xiaotao-star/KunpengTrans.h/ref set -e set -x yum install -y cmake gzip zlib bzip2 -./jarvis -install hpckit/25.0.0 com -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} com +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi export CC=`which mpicc` export CXX=`which mpicxx` @@ -27,7 +27,7 @@ tar -xzvf ${JARVIS_DOWNLOAD}/sse2neon-1.5.0.tar.gz [ENV] -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi export CC=`which mpicc` export CXX=`which mpicxx` diff --git a/templates/petsc/3.16/data.petsc.arm.cpu.config b/templates/petsc/3.16/data.petsc.arm.cpu.config index 943df56b..db7bc7a3 100644 --- a/templates/petsc/3.16/data.petsc.arm.cpu.config +++ b/templates/petsc/3.16/data.petsc.arm.cpu.config @@ -8,8 +8,8 @@ refs/3.16 https://github.com/petsc/petsc/archive/refs/heads/release-3.16.zip set -e set -x module purge -./jarvis -install hpckit/25.0.0 com -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} com +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi export CC=`which clang` export CXX=`which clang++` @@ -19,7 +19,7 @@ unzip ${JARVIS_DOWNLOAD}/release-3.16.zip [ENV] module purge -module use ./software/compiler/hpckit/25.0.0/HPCKit/25.0.0/modulefiles +module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module add bisheng/compiler4.2.0/bishengmodule bisheng/hmpi25.0.0/hmpi export CC=`which clang` export CXX=`which clang++` diff --git a/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config b/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config index d9f4c648..7e1f454d 100755 --- a/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config +++ b/templates/qp2/2.2.2/qp2.arm.bisheng.hpckit.py3.config @@ -7,8 +7,8 @@ QuantumPackage/qp2/2.2.2 [DEPENDENCY] set -e module purge -./jarvis -install hpckit/25.0.0 any -module use ./software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule module load bisheng/hmpi25.0.0/hmpi module load bisheng/kml25.0.0/kml @@ -28,7 +28,7 @@ git submodule update --init --recursive [ENV] module purge -module use ./software/utils/hpckit/25.0.0/HPCKit/latest/modulefiles +module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles module load bisheng/compiler4.2.0/bishengmodule module load bisheng/hmpi25.0.0/hmpi module load bisheng/kml25.0.0/kml @@ -53,7 +53,7 @@ sed -i '328s/\(.\/configure\)/CFLAGS="-O3 -fPIC -Wno-deprecated-non-prototype" \ # fix compiler zeromq error: ISO C++ requires the name after '::~generic_mtrie_t ()' sed -i '282a\ sed -i \"s\/\\~generic_mtrie_t\/\\~generic_mtrie_t\\/\" src\/generic_mtrie_impl.hpp' configure #If you don't have HDF5, use trexio-nohdf5,; use trexio need add --with-hdf5=$HDF5_PATH -sed -i '235s/$/\ CPPFLAGS="-I\${JARVIS_UTILS}\/hpckit\/25.0.0\/HPCKit\/25.0.0\/hmpi\/bisheng\/hmpi\/include" --with-hdf5=\${JARVIS_LIBS}\/bisheng4.2.0\/hmpi25.0.0\/hdf5-clang\/1.12.1/' configure +sed -i '235s/$/\ CPPFLAGS="-I\${JARVIS_UTILS}\/hpckit\/${HPCKIT_VERSION}\/HPCKit\/${HPCKIT_VERSION}\/hmpi\/bisheng\/hmpi\/include" --with-hdf5=\${JARVIS_LIBS}\/bisheng4.2.0\/hmpi25.0.0\/hdf5-clang\/1.12.1/' configure sed -i 's/make check \&\&//' configure ./configure -i zlib ./configure -i ninja @@ -81,8 +81,8 @@ sed -i 's/derf/erf/g' src/dft_utils_func/routines_exc_sr_lda.irp.f cat > config/flang_hmpi.cfg <