Commit 0e8a4b1c authored by Doak, Peter W's avatar Doak, Peter W
Browse files

running with more memory

parent ef22c04f
......@@ -24,3 +24,12 @@ export MODULEPATH=${MODULEPATH}:/sw/user_tools/cades-cnms/modules
module load vasp/5.4.4_cnms
aprun -j1 -n16 -S4 ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out
# if you want equivalent mpi processes x i.e. -nx
# then you must ask for double the nodes
# 2x memory per process
#aprun -j1 -n8 -S2 ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out
# 4x memory per process
#aprun -j1 -n4 -S2 ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out
# 8x memory per process
#aprun -j1 -n2 -S1 ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out
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