diff --git a/templates/gromacs/2019.3/bisheng/data.gromacs.arm.cpu.config b/templates/gromacs/2019.3/bisheng/data.gromacs.arm.cpu.config index 1105f2dfac4d43f1e220127709df26384bfd8194..cc27a39ee855f1d208617ad6abefc9599ffd13fc 100644 --- a/templates/gromacs/2019.3/bisheng/data.gromacs.arm.cpu.config +++ b/templates/gromacs/2019.3/bisheng/data.gromacs.arm.cpu.config @@ -37,9 +37,9 @@ module load fftw/3.3.8 [APP] app_name = gromacs -build_dir = $JARVIS_ROOT -binary_dir = $JARVIS_ROOT/software/apps/bisheng2.1.0/hmpi1.1.1/gromacs -case_dir = $JARVIS_ROOT/software/apps/bisheng2.1.0/hmpi1.1.1/gromacs +build_dir = $JARVIS_TMP +binary_dir = +case_dir = [BUILD] cd ${JARVIS_TMP} @@ -52,7 +52,7 @@ mkdir build cd build openblas_path=$JARVIS_LIBS/bisheng2.1.0/openblas/0.3.18 -fftw_path=$JARVIS_LIBS/bisheng2.1.0/hmpi1.1.1/fftw/3.3.8 +fftw_path=$JARVIS_LIBS/bisheng2.1.0-hmpi1.1.1/fftw/3.3.8 FLAGS="-mcpu=tsv110"; CFLAGS=$FLAGS CXXFLAGS=$FLAGS LDFLAGS="-lflang -fuse-ld=lld" CC=mpicc CXX=mpicxx \ cmake \ @@ -85,7 +85,7 @@ make install ./clean_build [RUN] -run = +run = time binary = nodes = 1