[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
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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