diff --git a/templates/duns/4.7.1/.keep b/templates/duns/4.7.1/.keep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/templates/duns/4.7.1/data.duns-sve.arm.cpu.config b/templates/duns/4.7.1/data.duns-sve.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..957f19fc1c1c57f0c19b49e52d834d566bb8b700 --- /dev/null +++ b/templates/duns/4.7.1/data.duns-sve.arm.cpu.config @@ -0,0 +1,83 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +duns/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-src.tar.bz2 +duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-test.tar.bz2 + +[DEPENDENCY] + + +[ENV] +export CC=mpicc CXX=mpicxx FC=mpifort +module use /hpcrunner/software/moduledeps +module use /hpcrunner/software/modulefiles +cd /hpcrunner +git pull +module use /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1 +./jarvis -install bisheng/4.0.0-mini com +export CC=clang CXX=clang++ FC=flang +./jarvis -install package/hmpi/2.4.1 bisheng +#export CC=mpicc CXX=mpicxx FC=mpifort +module load bisheng/4.0.0-mini +module load bisheng4.0.0/hmpi/2.4.1 + +[APP] +app_name = duns +build_dir = ${JARVIS_DOWNLOAD}/duns-2.7.1 +binary_dir = +case_dir = ${JARVIS_DOWNLOAD}/duns-2.7.1/test/serial/cduct + +[BUILD] +cd ${JARVIS_DOWNLOAD}/ +tar -xf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 +tar -xf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 +cd duns-2.7.1 +export COPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +export FOPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +sed -i '10s/g77/flang/' makesystem/Makesystem_linux +sed -i '11s/gcc/clang/' makesystem/Makesystem_linux +sed -i '12s/g++/clang++/' makesystem/Makesystem_linux +sed -i '13s/gcc/clang -std=c90/' makesystem/Makesystem_linux +sed -i '14s/gcc/clang/' makesystem/Makesystem_linux +sed -i "28s#.*#SYSLIBS = -L${JARVIS_COMPILER}/bisheng/4.0.0-mini/lib -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux +sed -i '29s#.*#GRAFLIBS = -lmbgrafic -lgrafic -L/lib64 -Wl,-Bdynamic -lX11 -lflang#' makesystem/Makesystem_linux +sed -i '339s/help()/help(0)/' src/main.cpp +sed -i '345s/help()/help(0)/' src/main.cpp +sed -i '349s/help()/help(0)/' src/main.cpp +sed -i 's/getline1111111111/getline1111111111/g' `grep getline -rl --include="*" ./` +sed -i '275s/tzp/*tzp/' lib/Xunderscore.c +#sed -i "69a%\tsed -i '1a#define _POSIX_C_SOURCE 199309L' dunsc.c" src/Makefile +#sed -i 70s/\%// src/Makefile +export DUNSARCH=linux +export DUNSPATH27=`pwd` +export PATH=$DUNSPATH27/util:$PATH +cd lib +make && make install +cd .. +dunssource 3d all +sed -i '20a#define _POSIX_C_SOURCE 199309L' duns-3d-all/setsignals.c +sed -i '13s/clang/clang -ansi' duns-3d-all/Makesystem +cd duns-3d-all +make +mkdir -p ${JARVIS_LIBS}/bisheng4.0.0-mini/duns/2.7.1/bin +cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0-mini/duns/2.7.1/bin +[RUN] +run = +binary = +nodes = 1 + + +mkdir /hpcrunner/software/moduledeps/bisheng4.0.0-mini/duns -p +cat >> /hpcrunner/software/moduledeps/bisheng4.0.0-mini/duns/2.7.1 << EOF +#%Module1.0 +set prefix ${JARVIS_LIBS}/bisheng4.0.0-mini/duns/2.7.1 +set version 2.7.1 +setenv DUNS_PATH $prefix +prepend-path PATH $prefix/bin + +EOF + + + + diff --git a/templates/mopac/.keep b/templates/mopac/.keep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/templates/mopac/22.0.4/.keep b/templates/mopac/22.0.4/.keep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/templates/mopac/22.0.4/data.mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.mopac-sve.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..d9055f3dd451c35cf0e1ccdeeaf2efdc5bd48446 --- /dev/null +++ b/templates/mopac/22.0.4/data.mopac-sve.arm.cpu.config @@ -0,0 +1,64 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz v22.0.4.tar.gz + + +[DEPENDENCY] +export CC=mpicc CXX=mpicxx FC=mpifort + + +[ENV] +module use /hpcrunner/software/moduledeps +module use /hpcrunner/software/modulefiles +cd /hpcrunner +git pull +module use /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1 +./jarvis -install bisheng/4.0.0-mini com +export CC=clang CXX=clang++ FC=flang +./jarvis -install package/hmpi/2.4.1 bisheng +export CC=mpicc CXX=mpicxx FC=mpifort +module load bisheng/4.0.0-mini +module load bisheng4.0.0/hmpi/2.4.1 + + + +[APP] +app_name = mopac +build_dir = ${JARVIS_ROOT} +binary_dir = ${JARVIS_ROOT}/software/mopac/22.0.4/bin +case_dir = + +[BUILD] +ls ${JARVIS_DOWNLOAD}/ +tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz +cd mopac-22.0.4 +#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 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" Makefile.include +export COPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +export FOPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +mkdir build && cd build +cmake -DCMAKE_INSTALL_PREFIX=../install .. +make -j +make install +mkdir /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/mopac/22.0.4/ -p +cp -r ../install/* /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/mopac/22.0.4/ +mkdir -p /hpcrunner/software/mopac/22.0.4/ +cp -r ../install/bin /hpcrunner/software/mopac/22.0.4/ + +mkdir /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1/mopac -p +cat >> /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1/mopac/22.0.4 << EOF +#%Module1.0 +set prefix /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/mopac/22.0.4 +set version 22.0.4 +setenv MOPAC_PATH \$prefix +prepend-path PATH \$prefix/bin +prepend-path LD_LIBRARY_PATH \$prefix/lib64 +EOF + + + +[RUN] +run = +binary = +nodes = 1 diff --git a/templates/palabos/2.1/data.palabos.arm.cpu.config b/templates/palabos/2.1/data.palabos.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..4c25f7287a5c6cd1fd686ddafc24917587f82912 --- /dev/null +++ b/templates/palabos/2.1/data.palabos.arm.cpu.config @@ -0,0 +1,54 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +palabos/2.1 https://gitlab.com/unigespc/palabos/-/archive/v2.1r0/palabos-v2.1r0.zip palabos-v2.1r0.zip + + +[DEPENDENCY] +module purge +./jarvis -install bisheng/3.2.0-mini com +module use ./software/modulefiles +module load bisheng/3.2.0-mini +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/2.3.0 clang +module use ./software/moduledeps/bisheng3.2.0 +module load hmpi/2.3.0 + + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng/3.2.0-mini +module use ./software/moduledeps/bisheng3.2.0 +module load hmpi/2.3.0 +export CC=clang CXX=clang++ FC=flang +export PMIX_INSTALL_PREFIX=${OPAL_PREFIX} +cd /hpcrunner +CUR_PATH=$(pwd) +export JARVIS_ROOT=${CUR_PATH} +export JARVIS_TMP=${CUR_PATH}/tmp +export PATH=${JARVIS_TMP}/palabos-v2.1r0/examples/showCases/cavity2d:$PATH +export PATH=${JARVIS_TMP}/palabos-v2.1r0/examples/showCases/boussinesqThermal3d:$PATH + +[APP] +app_name = palabos +build_dir = ${JARVIS_ROOT} +binary_dir = ${JARVIS_TMP}/palabos-v2.1r0/ +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +unzip ${JARVIS_DOWNLOAD}/palabos-v2.1r0.zip +cd palabos-v2.1r0 +cd examples/showCases/cavity2d +make -j +cd ${JARVIS_TMP}/palabos-v2.1r0/examples/showCases/boussinesqThermal3d +make -j + +[RUN] +run = +binary = +nodes = 1 + + diff --git a/templates/qmcpack/3.14.0/.keep b/templates/qmcpack/3.14.0/.keep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..0c521bed34e818b6985177114113ea03d52d62bb --- /dev/null +++ b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config @@ -0,0 +1,66 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +qmcpack/3.14.0 https://github.com/QMCPACK/qmcpack/archive/refs/tags/v3.14.0.tar.gz + + +[DEPENDENCY] +export CC=mpicc CXX=mpicxx FC=mpifort + + +[ENV] +module use /hpcrunner/software/moduledeps +module use /hpcrunner/software/modulefiles +cd /hpcrunner +git pull +module use /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1 +./jarvis -install bisheng/4.0.0-mini com +export CC=clang CXX=clang++ FC=flang +./jarvis -install package/hmpi/2.4.1 bisheng +export CC=mpicc CXX=mpicxx FC=mpifort +./jarvis -install package/hdf5/1.10.7 bisheng +module load bisheng/4.0.0-mini +module load bisheng4.0.0/hmpi/2.4.1 + + + +[APP] +app_name = qmcpack +build_dir = ${JARVIS_ROOT} +binary_dir = ${JARVIS_ROOT}/software/qmcpack/3.14.0/bin +case_dir = + +[BUILD] +ls ${JARVIS_DOWNLOAD}/ +tar -xf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz +cd qmcpack-3.14.0 +#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 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" Makefile.include +export COPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +export FOPTIONS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" +mkdir build +cd build +cmake -DCMAKE_INSTALL_PREFIX=../install .. +make -j +make install +mkdir /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/ -p +cp -r ../install/* /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/ +cd ../../ +rm -rf qmcpack-3.14.0 +rm -rf HPCkit +mkdir /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1/qmcpack -p +cat >> /hpcrunner/software/moduledeps/bisheng4.0.0-hmpi2.4.1/qmcpack/3.14.0/ << EOF +#%Module1.0 +set prefix /hpcrunner/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/ +set version 3.14.0 +setenv MOPAC_PATH \$prefix +prepend-path PATH \$prefix/bin +prepend-path LD_LIBRARY_PATH \$prefix/lib64 +EOF + + + +[RUN] +run = +binary = +nodes = 1