[molpro-user] memory settings in parallel runs
mikael.johansson at helsinki.fi
Thu Nov 12 11:39:41 GMT 2009
A short answer based on empirical studies here, someone with more insight
of the inner workings of the program can provide more.
I've never found the need to play around with the global memory option.
Instead, adjusting the memory per task has always been enough. I normally
do it with the "memory" keyword in the input file, for example:
This seems to be the most critical for getting jobs done, at least for the
CCSD(T) calcs which I've mainly used Molpro for. And yes, having fewer
task with more memory available per node is what you usually will need to
do, the memory requirements per task do not decrease that much with a
larger number of total tasks (again, at least for the calcs I've been
Hope this helps, have a nice day,
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