[molpro-user] Memory in Parallel
Eric Jon Sundstrom
esundstr at gmail.com
Wed Oct 1 04:55:08 BST 2014
I have compiled the most recent version Molpro using MPI but am uncertain
of a couple of things about running with multiple processors.
1) How do the -n flag and the memory card interact?
If for example my input has
memory,500,M
and I run said job with '-n 3' will the processes consume 1500Mw of memory
or does it efficiently use the shared memory.
2) Are there any timings for OpenMP vs MPI in Molpro?
Thanks you,
-------------------------------------------------------------------
Dr. Eric Jon Sundstrom
Postdoctoral Researcher
Thomas F. Miller III Group
Division of Chemistry and Chemical Engineering
California Institute of Technology
ph: 765.491.5765
email: esundstr at gmail.com
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