diff --git a/templates/honpas/data.honpas.arm.cpu.kgcc.config b/templates/honpas/data.honpas.arm.cpu.kgcc.config new file mode 100644 index 0000000000000000000000000000000000000000..c79b43710030869148bcd4f34b208bf6c28dfa3f --- /dev/null +++ b/templates/honpas/data.honpas.arm.cpu.kgcc.config @@ -0,0 +1,66 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] + +[DEPENDENCY] +set -e +set -x +yum install -y cmake +module purge +./jarvis -install hpckit/2025.3.30 any +module use software/utils/hpckit/2025.3.30/HPCKit/25.0.0/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++` +export FC=`which gfortran` +rm -rf HONPAS +git clone https://github.com/xmqin/HONPAS.git + +[ENV] +module purge +module use software/utils/hpckit/2025.3.30/HPCKit/25.0.0/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++` +export FC=`which gfortran` + +[APP] +app_name = HONPAS +build_dir = ${JARVIS_ROOT}/HONPAS/Obj/ +binary_dir = +case_dir = ${JARVIS_ROOT}/HONPAS/HONPAS_Examples/Tests/Sibulk/64 + +[BUILD] + +sh ../Src/obj_setup.sh +cp ../libint-1.1.5.tar.gz . +tar -xvzf libint-1.1.5.tar.gz +mkdir libint_install +cd libint-1.1.5 +./configure --prefix="$PWD/../libint_install" CC=gcc CXX=g++ F77=gfortran +make -j8 +make install +cd .. +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${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon/kblas/multi -lkblas|" arch.make +sed -i "43s|.*|LAPACK_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon -lklapack_full|" arch.make +sed -i "44s|.*|SCALAPACK_LIBS= -L${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon -lkscalapack_full|" arch.make +make -j8 + +[CLEAN] +make clean + +[RUN] +run = mpirun -allow-run-as-root -n 32 ${JARVIS_ROOT}/HONPAS/Obj/honpas Sibulk_new.out +binary = +nodes = 1 + +[PERF] +perf= +nsys= +ncu=--target-processes all +