diff --git a/templates/qe/6.5/data.qe.arm.cpu.config b/templates/qe/6.5/data.qe.arm.cpu.config index 0c45ec6f5dbf84e57335f57ece2ec6b92bc6fb31..2b2bb72d1a5527cb8e2c72c7006b7e54d5e54b49 100644 --- a/templates/qe/6.5/data.qe.arm.cpu.config +++ b/templates/qe/6.5/data.qe.arm.cpu.config @@ -5,23 +5,22 @@ qe/6.5 $JARVIS_PROXY/QEF/q-e/archive/refs/tags/qe-6.5.tar.gz q-e-qe-6.5.tar.gz [DEPENDENCY] -./jarvis -install bisheng/2.1.0 com +yum install -y libatomic module purge -module use ./software/modulefiles -module load bisheng/2.1.0 +./jarvis -install hpckit/${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 + 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 +rm -rf q-e-qe-6.5 tar -xzvf ${JARVIS_DOWNLOAD}/q-e-qe-6.5.tar.gz [ENV] -./jarvis -install bisheng/2.1.0 com module purge -module use ./software/modulefiles -module load bisheng/2.1.0 -module load hmpi/1.1.1 +module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles +module add bisheng/compiler${BISHENG_VERSION}/bishengmodule bisheng/hmpi${HMPI_VERSION}/release [APP] app_name = QE @@ -31,13 +30,13 @@ case_dir = $JARVIS_ROOT/workloads/QE/qe-test/ [BUILD] ./configure F90=gfortran F77=gfortran MPIF90=mpifort MPIF77=mpifort CC=mpicc FCFLAGS="-O3" CFLAGS="-O3" --with-scalapack=no --enable-openmp -make -j 96 pwall +make -j $(nproc) pwall make install [CLEAN] make clean [RUN] -run = mpirun --allow-run-as-root -mca btl ^vader,tcp,openib,uct -np 128 -binary = pw.x -nk 8 -input scf.in +run = mpirun --allow-run-as-root -mca btl ^vader,tcp,openib,uct -np $(nproc) +binary = pw.x -nk $(nproc) -input scf.in nodes = 1 \ No newline at end of file