[molpro-user] Clash between multiple instances of Molpro on one node

Bastiaan J. Braams braams at mathcs.emory.edu
Sat Oct 14 19:50:57 BST 2006

Hi all,

I'm using the sequential version of Molpro, but running multiple
instances in parallel on a multiprocessor computer.  Sometimes this
results in unreproducible, seemingly random failures of the Molpro
runs, usually already at the Hartree-Fock level.  What might be the
cause and what might be a remedy?  Sorry not to be more specific, it
is happening to me on quite different computer systems and for
different Molpro calculations, and with 2002.6 and also 2006.2.
Should I look for a cause in memory contention, disk contention,
something in my directory structure, or maybe there is some subtlety
that needs to be taken into account when Molpro is installed?

Bastiaan J. Braams
braams at mathcs.emory.edu
Emory University, Atlanta, GA

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