diff --git a/templates/top50/jax/0.4.30/jax.arm.py39.cpu.config b/templates/top50/jax/0.4.30/jax.arm.py39.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..a5a098542755c9e92352a185491aec123dcc94fb --- /dev/null +++ b/templates/top50/jax/0.4.30/jax.arm.py39.cpu.config @@ -0,0 +1,39 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +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 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 load python3/3.9.9 + +[APP] +app_name = jax +build_dir = ${JARVIS_TMP_DOWNLOAD}/jax-jax-v0.4.30 +binary_dir = +case_dir = ${JARVIS_TMP_DOWNLOAD}/jax-jax-v0.4.30/tests + +[BUILD] +pip3 install . +pip3 install absl-py + +[CLEAN] +pip3 uninstall jax -y + +[RUN] +run = python3 +binary = jax_jit_test.py +nodes = 1 + diff --git a/templates/top50/multiwfn/3.8/data.multiwfn.arm-920.cpu.config b/templates/top50/multiwfn/3.8/data.multiwfn.arm-920.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..c3a8442cf177b9e581f727ffae7ce9ab2fb68fc0 --- /dev/null +++ b/templates/top50/multiwfn/3.8/data.multiwfn.arm-920.cpu.config @@ -0,0 +1,59 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +multiwfn/3.8_dev http://sobereva.com/multiwfn/misc/Multiwfn_3.8_dev_src_Linux.zip multiwfn-3.8_dev.zip + +[DEPENDENCY] +yum install make cmake gcc g++ -y + +module purge +./jarvis -install hpckit/2024.12.30 com +module use ./software/compiler/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles +module load bisheng/compiler4.1.0/bishengmodule +module load bisheng/hmpi2.4.3/hmpi +module load bisheng/kml2.5.0/kml + +cd ${JARVIS_TMP_DOWNLOAD} +rm -rf Multiwfn_3.8_dev_src_Linux +unzip ${JARVIS_DOWNLOAD}/multiwfn-3.8_dev.zip + +[ENV] +module purge +module use ./software/compiler/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles +module load bisheng/compiler4.1.0/bishengmodule +module load bisheng/hmpi2.4.3/hmpi +module load bisheng/kml2.5.0/kml + +[APP] +app_name = multiwfn +build_dir = ${JARVIS_TMP_DOWNLOAD}/Multiwfn_3.8_dev_src_Linux +binary_dir = ${JARVIS_TMP_DOWNLOAD}/Multiwfn_3.8_dev_src_Linux +case_dir = + +[BUILD] +sed -i '1c SIMD =' Makefile +sed -i '2c #DISDIAG = -diag-disable 8290,8291,6371,10316,6178,6916,7416,5268,7342,7373,5120,5144,5082,5112,2554,5183,6182,7352' Makefile +sed -i '3c OPT = -O2 -fGNU-compatibility -ffree-line-length-0 -ffixed-line-length-0 -fopenmp -std=f2008 -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/hmpi/bisheng/hmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/neon/kblas/omp -lkblas -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/sve -lklapack_full -cpp' Makefile +sed -i '4c OPT1 = -O1 -fGNU-compatibility -ffree-line-length-0 -ffixed-line-length-0 -fopenmp -std=f2008 -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/hmpi/bisheng/hmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/neon/kblas/omp -lkblas -L\${JARVIS_COMPILER}/hpckit/2024.12.30/HPCKit/24.12.30/kml/bisheng/lib/sve -lklapack_full -cpp' Makefile + +sed -i '12c FC = flang' Makefile +sed -i '13c CC = clang' Makefile +sed -i 's/6178,6843//g' Makefile +sed -i 's/6843//g' Makefile +sed -i '280s/-fpscomp logicals/-fIntel-compatibility/' Makefile +make clean +make noGUI + +[CLEAN] +make clean + +[RUN] +run = +binary =./Multiwfn_noGUI +nodes = 1 + +[PERF] +perf= +nsys= +ncu= diff --git a/templates/top50/vaspkit/0.52/data.vaspkit.arm-920.cpu.config b/templates/top50/vaspkit/0.52/data.vaspkit.arm-920.cpu.config new file mode 100644 index 0000000000000000000000000000000000000000..3fb2ae8c54fed53939589881d5161436eb836d6f --- /dev/null +++ b/templates/top50/vaspkit/0.52/data.vaspkit.arm-920.cpu.config @@ -0,0 +1,50 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +vaspkit/0.52 https://sourceforge.net/projects/vaspkit/files/Src/vaspkit.0.52.tar.gz + +[DEPENDENCY] +yum install make cmake gcc g++ -y + +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 + +cd ${JARVIS_TMP_DOWNLOAD} +rm -rf vaspkit-0.52 +tar -xzvf ${JARVIS_DOWNLOAD}/vaspkit.0.52.tar.gz + +[ENV] +module purge +module use ./software/modulefiles +module load bisheng/4.1.0 + +[APP] +app_name = vaspkit +build_dir = ${JARVIS_TMP_DOWNLOAD}/vaspkit.0.52/ +binary_dir = ${JARVIS_TMP_DOWNLOAD}vaspkit.0.52/src/ +case_dir = + +[BUILD] +sed -i "6c FC=flang" make.inc +sed -i "12c CC=clang" make.inc +cd src +make + +[CLEAN] +cd src +make clean + +[RUN] +run = +binary = vaspkit +nodes = 1 + +[PERF] +perf= +nsys= +ncu= +