[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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