diff --git a/container/nwchem/6.8.1/data.NWchem-new.arm.cpu.config.def b/container/nwchem/6.8.1/data.NWchem-new.arm.cpu.config.def new file mode 100644 index 0000000000000000000000000000000000000000..5f202a6c83747d251b86b7c50b254b07d89d8641 --- /dev/null +++ b/container/nwchem/6.8.1/data.NWchem-new.arm.cpu.config.def @@ -0,0 +1,53 @@ +BootStrap: library +From: helloxusuo/repo/base:oe2203sp2 + +%environment + source /etc/profile || true + source /etc/profile.d/modules.sh + cd /hpcrunner + module use ./software/moduledeps/bisheng3.2.0 + source env.sh + +%post + # Install the necessary development environment + #yum install -y environment-modules git dmidecode pciutils wget vim unzip curl zlib zlib-devel + # Install base gcc + #yum install -y gcc gcc-c++ gcc-gfortran glibc-devel make libgfortran cmake + # install network package + #yum install -y flex tcsh tcl lsof tk bc + + #source /etc/profile || true + cd /hpcrunner + git init + git config --global http.sslVerify false + git status + + git pull https://gitee.com/openeuler/hpcrunner + cd ../ + mkdir linshi + cd linshi + git clone https://gitee.com/chenshaoheng/hpcrunner.git + cp hpcrunner/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config /hpcrunner/templates/nwchem/6.8.1/ -f + + cd - + rm linshi -rf + cd /hpcrunner + source ./init.sh + # add your personal files here + + # Switch config + ./jarvis -use templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config + # download dependency + ./jarvis -d + # install dependency + ./jarvis -dp + # build hpc + ./jarvis -b + # run hpc + ./jarvis -r + # clean tmp directory + rm downloads/* tmp/nwchem-6.8.1-release/src/tools/ga-5.6.5.tar.gz -rf + + +%labels + Author chen diff --git a/container/nwchem/6.8.1/data.NWchem.arm.cpu.config.def b/container/nwchem/6.8.1/data.NWchem.arm.cpu.config.def index 817bf3945f934164ce31a3cfb04d6c8f3dd363d6..6f5af9c954c60072362675b129212d264dd4bd33 100644 --- a/container/nwchem/6.8.1/data.NWchem.arm.cpu.config.def +++ b/container/nwchem/6.8.1/data.NWchem.arm.cpu.config.def @@ -17,11 +17,20 @@ From: helloxusuo/repo/base:oe2203sp2 #yum install -y flex tcsh tcl lsof tk bc #source /etc/profile || true + cd /hpcrunner git init git config --global http.sslVerify false git status git pull https://gitee.com/openeuler/hpcrunner + cd ../ + mkdir linshi + cd linshi + git clone https://gitee.com/chenshaoheng/hpcrunner.git + cp hpcrunner/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config /hpcrunner/templates/nwchem/6.8.1/ -f + + cd - + rm linshi -rf cd /hpcrunner source ./init.sh # add your personal files here diff --git a/package/hmpi/1.3.0/install.sh b/package/hmpi/1.3.0/install.sh index b78fdf338b293dcf6018448e9cccdc8b2de8267f..c0c087f27fca5d7378d1abddbcdaa956771d1c9f 100755 --- a/package/hmpi/1.3.0/install.sh +++ b/package/hmpi/1.3.0/install.sh @@ -2,14 +2,14 @@ set -x set -e hmpi_version='1.3.0' -. ${DOWNLOAD_TOOL} -u $JARVIS_PROXY/openucx/ucx/archive/refs/tags/v1.10.1.tar.gz -f hucx-${hmpi_version}-huawei.tar.gz -. ${DOWNLOAD_TOOL} -u $JARVIS_PROXY/chen-shaoheng/HMPI-1.3.0/releases/download/xucg-v1.3.0/xucg-v1.3.0-huawei.tar.gz -f xucg-${hmpi_version}-huawei.tar.gz -. ${DOWNLOAD_TOOL} -u $JARVIS_PROXY/chen-shaoheng/HMPI-1.3.0/releases/download/hmpi-v1.3.0/hmpi-v1.3.0-huawei.tar.gz -f hmpi-${hmpi_version}-huawei.tar.gz +. ${DOWNLOAD_TOOL} -u https://gitee.com/kunpengcompute/hucx/repository/archive/v1.3.0-huawei.tar.gz -f hucx-${hmpi_version}-huawei.tar.gz +. ${DOWNLOAD_TOOL} -u https://gitee.com/kunpengcompute/xucg/repository/archive/v1.3.0-huawei.tar.gz -f xucg-${hmpi_version}-huawei.tar.gz +. ${DOWNLOAD_TOOL} -u https://gitee.com/kunpengcompute/hmpi/repository/archive/v1.3.0-huawei.tar.gz -f hmpi-${hmpi_version}-huawei.tar.gz cd ${JARVIS_TMP} . $CHECK_ROOT && yum install -y perl-Data-Dumper autoconf automake libtool binutils flex -rm ucx-1.10.1 -rf -tar xf ${JARVIS_DOWNLOAD}/hucx-1.3.0-huawei.tar.gz -cd ucx-1.10.1 +rm hucx-v${hmpi_version}-huawei -rf +tar xf ${JARVIS_DOWNLOAD}/hucx-${hmpi_version}-huawei.tar.gz +cd hucx-v${hmpi_version}-huawei ./autogen.sh ./contrib/configure-opt --prefix=$1/hucx --disable-numa --enable-mt CFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" CXXFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" make -j @@ -21,9 +21,9 @@ export CPLUS_INCLUDE_PATH=$1/hucx/include:$CPLUS_INCLUDE_PATH export CFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" CXXFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" FFLAGS="-Wno-error=int-conversion" -rm xucg-v1.3.0-huawei/ -rf -tar xf ${JARVIS_DOWNLOAD}/xucg-1.3.0-huawei.tar.gz -cd xucg-v1.3.0-huawei/ +rm xucg-v${hmpi_version}-huawei/ -rf +tar xf ${JARVIS_DOWNLOAD}/xucg-${hmpi_version}-huawei.tar.gz +cd xucg-v${hmpi_version}-huawei/ mkdir build && cd build cmake .. -DCMAKE_INSTALL_PREFIX=$1/xucg -DCMAKE_BUILD_TYPE=Release -DUCG_BUILD_WITH_UCX=$1/hucx -DUCG_ENABLE_MT=ON -DUCG_BUILD_TESTS=OFF -DCMAKE_C_COMPILER=$CC -DCMAKE_CXX_COMPILER=$CXX -DCMAKE_Fortran_COMPILER=$FC make -j @@ -33,9 +33,9 @@ export LD_LIBRARY_PATH=$1/xucg/lib:$LD_LIBRARY_PATH export C_INCLUDE_PATH=$1/xucg/include:$C_INCLUDE_PATH export CPLUS_INCLUDE_PATH=$1/xucg/include:$CPLUS_INCLUDE_PATH -rm hmpi-v1.3.0-huawei/ -rf -tar xf ${JARVIS_DOWNLOAD}/hmpi-1.3.0-huawei.tar.gz -cd hmpi-v1.3.0-huawei/ +rm hmpi-v${hmpi_version}-huawei/ -rf +tar xf ${JARVIS_DOWNLOAD}/hmpi-${hmpi_version}-huawei.tar.gz +cd hmpi-v${hmpi_version}-huawei/ ./autogen.pl ./configure --prefix=$1 --with-platform=contrib/platform/mellanox/optimized --enable-mpi1-compatibility --with-ucx=$1/hucx --with-ucg=$1/xucg make -j diff --git a/templates/CESM/2.1.3/CESM-2.1.3.patch b/templates/CESM/2.1.3/CESM-2.1.3.patch new file mode 100644 index 0000000000000000000000000000000000000000..b3345d1b933d55f37a77bbe9582a2e862166c115 --- /dev/null +++ b/templates/CESM/2.1.3/CESM-2.1.3.patch @@ -0,0 +1,117 @@ +diff -uprN CESM-release-cesm2.1.3/cime/config/cesm/machines/config_compilers.xml CESM-release-cesm2.1.3_1/cime/config/cesm/machines/config_compilers.xml +--- CESM-release-cesm2.1.3/cime/config/cesm/machines/config_compilers.xml 2023-08-01 11:02:27.000000000 +0800 ++++ CESM-release-cesm2.1.3_1/cime/config/cesm/machines/config_compilers.xml 2024-03-11 10:38:25.077406000 +0800 +@@ -1273,9 +1273,9 @@ using a fortran linker. + + + +- ++ + +- -std=gnu99 -O3 -mcpu=tsv110 ++ -std=gnu99 -O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true + -fopenmp + -mllvm -alias-set-saturation-threshold=10000 + -mllvm -alias-set-saturation-threshold=10000 +@@ -1291,7 +1291,7 @@ using a fortran linker. + + +- -mno-fcmla -fconvert=big-endian -O3 -mcpu=tsv110 -Hx,54,0x08 -Hx,54,0x800 -Mx,54,0x1000 -mllvm -alias-set-saturation-threshold=10000 -lstringlib -Wl,--wrap=memcpy -Wl,--wrap=memset -I/workspace/public/software/libs/netcdf/netcdf_c_4.7.4_fortran_4.5.3/bisheng2.5.0_hmpi1.2.0/include -I/workspace/public/software/libs/pnetcdf/1.12.1/bisheng2.5.0_hmpi1.2.0/include -I/workspace/public/software/libs/hdf5/1.12.0/bisheng2.5.0_hmpi1.2.0/include -I/workspace/public/software/libs/kml/1.6.0/include -I./ -I../ ++ -mno-fcmla -fconvert=big-endian -O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true -Hx,54,0x08 -Hx,54,0x800 -Mx,54,0x1000 -mllvm -alias-set-saturation-threshold=10000 -lstringlib -Wl,--wrap=memcpy -Wl,--wrap=memset -I/hpcrunner/software/libs/bisheng3.2.0/hmpi2.3.0/netcdf-clang/4.8.1/include -I/hpcrunner/software/libs/bisheng3.2.0/hmpi2.3.0/pnetcdf/1.12.1/include -I/hpcrunner/software/libs/bisheng3.2.0/hmpi2.3.0/hdf5-clang/1.12.0/include -I/hpcrunner/software/libs/bisheng3.2.0/kml-bisheng/2.2.0/include -I./ -I../ + -fopenmp +