diff --git a/templates/qe/6.5/data.qe.arm.cpu.opt.config b/templates/qe/6.5/data.qe.arm.cpu.opt.config index 3428abf433d12efae6461719c53fcc575718096d..fba0fba16ffa4f439db6b29b8bc19a1743c92ff2 100644 --- a/templates/qe/6.5/data.qe.arm.cpu.opt.config +++ b/templates/qe/6.5/data.qe.arm.cpu.opt.config @@ -5,28 +5,32 @@ qe/6.5 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.5.tar.gz q-e-qe-6.5.tar.gz [DEPENDENCY] -module purge +yum install libatomic -y +module purge ./jarvis -install hpckit/${HPCKIT_VERSION} any module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module purge -module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi +module add 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 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.5.tar.gz [ENV] module purge module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module purge -module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/hmpi - +module add bisheng/compiler${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/${kp}/kblas/omp +export BLAS_PATH=$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$KM_LIB -lkm -lkscalapack_full -lklapack_full" -export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3/bin:$PATH +export PATH=${JARVIS_LIBS}/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/6.5/bin:$PATH export LD_LIBRARY_PATH=$LAPACK_PATH:$KM_LIB:$BLAS_PATH:$LD_LIBRARY_PATH [APP] @@ -36,7 +40,7 @@ binary_dir = $JARVIS_ROOT/q-e-qe-6.5/bin/ case_dir = $JARVIS_ROOT/workloads/QE/qe-test/ [BUILD] -./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/7.3 +./configure F90=flang F77=flang FC=flang MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" CFLAGS="-O3 -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" --with-scalapack=yes --enable-openmp --prefix=$JARVIS_LIBS/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/qe/6.5 sed -i 's/gfortran/flang/g' make.inc make -j pwall make install