running with more memory

METIS/VASP/vasp_job.pbs

@@ -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
+#HIGH MEMORY REQUIREMENTS:
+# 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