[molpro-user] molpro slow on shared filesystem

Shen, Aaron aaron_shen at brown.edu
Mon Mar 23 14:22:08 GMT 2015


We are looking for some tips for running Molpro on a shared filesystem.  We
are using shared disk to write temp files because they do not fit in
memory.  The problem is, while Molpro runs, it is extremely disk-intensive,
which is causing slowdowns on our system.

The amount of temp files Molpro writes out peaks at 600 GB for some jobs,
which seems like a lot (and does not fit into memory).  Is that expected or
could there a problem?  Is there a way to decrease the amount of temp files
(by moving some to memory, perhaps)?

Any help is greatly appreciated.  Thanks,

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