# Invocation command line: # /tmp/yzheng/bin/runspec -c chem_purdue_sun.cfg -e omp --reportable chem_s ############################################################################ # gamess_purdue_chem.cfg # Sun configuration file for SPEC HPC2002 Chem # # Author: Yili Zheng (yzheng@purdue.edu) # Last updated: Oct. 18, 2003 action = validate makeflags = -j \${PARALLEL} MPIHOME=/home/lagavulin/a/scratch/yzheng/MPICH.SRC/mpich-1.2.4-2 FC=${MPIHOME}/bin/mpif90 F77=${MPIHOME}/bin/mpif90 CC=${MPIHOME}/bin/mpicc CXX=${SPECLANG}/bin/CC CPP=fpp use_submit_for_speed=1 ######################################################################## default=default=omp=default: OPTIMIZE= -fast -xarch=v9a -xopenmp -xO4 -xunroll=5 FOPTIMIZE = -xtypemap=integer:64 CPPFLAGS = -I. -D_OPENMP ######################################################################## default=default=mpi=default: OPTIMIZE = -fast -xarch=v9a -xunroll=5 FOPTIMIZE = -xtypemap=integer:64 CPPFLAGS = -I. -D_OPENMP submit = MPI_ENABLED=ENABLED; export MPI_ENABLED; ${MPIHOME}/bin/mpirun -np \${PARALLEL} $command