[molpro-user] memory settings in parallel runs

[Mikael Johansson]

Hello Manuel!

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: 
memory,1800,m

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 
running).

Hope this helps, have a nice day,
     Mikael J.
     http://www.iki.fi/~mpjohans/