diff --git a/templates/qe/6.4/data.qe.test.opt.config b/templates/qe/6.4/data.qe.test.opt.config index 4e97b3e1343cd4f8a1548a6691207d2f8404ab71..daa427d20851734e72ee6d63647d3f4998b60409 100644 --- a/templates/qe/6.4/data.qe.test.opt.config +++ b/templates/qe/6.4/data.qe.test.opt.config @@ -7,31 +7,29 @@ qe/6.4 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.4.1.tar.gz q-e-qe-6.4.1.tar. [DEPENDENCY] set -x set -e -./jarvis -install bisheng/2.1.0 com +yum install -y libatomic module purge -module use ./software/modulefiles -module load bisheng/2.1.0 -export CC=`which clang` -export CXX=`which clang++` -export FC=`which flang` -./jarvis -install hmpi/1.1.1 bisheng -module load hmpi/1.1.1 +./jarvis -install hpckit/${HPCKIT_VERSION} any +module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release ./jarvis -bench mpi -./jarvis -install openblas/0.3.18 bisheng tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.4.1.tar.gz [ENV] -source /etc/profile module purge -module use ./software/modulefiles -module load bisheng/2.1.0 -export CC=`which clang` -export CXX=`which clang++` -export FC=`which flang` -module load hmpi/1.1.1 -module load openblas/0.3.18 -export BLAS_LIBS="-L${JARVIS_LIBS}/bisheng2.1.0/openblas/0.3.18/lib -lopenblas" -export LAPACK_LIBS="-L${JARVIS_LIBS}/bisheng2.1.0/openblas/0.3.18/lib -lopenblas" +module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles +module load bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release + +module load bisheng/kml${HPCKIT_VERSION}/kml +module load bisheng/kml${HPCKIT_VERSION}/kblas/multi + +export KML_LIB=$JARVIS_UTILS/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng/lib +export BLAS_PATH=$KML_LIB/${kp}/kblas/multi +export LAPACK_PATH=$KML_LIB/${kp} +export KM_LIB=$KML_LIB/noarch + +export BLAS_LIBS="-L$BLAS_PATH -lkblas" +export LAPACK_LIBS="-L$LAPACK_PATH -L$KM_LIB -lkm -lkscalapack_full -lklapack_full" [APP] app_name = QE @@ -48,6 +46,6 @@ make install make clean [RUN] -run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np 128 +run = mpirun --allow-run-as-root -x OMP_NUM_THREADS=1 -np $(nproc) binary = pw.x -input test_3.in -nodes = 1 +nodes = 1 \ No newline at end of file