[molpro-user] disk expensive jobs on a shared filesystem

Chen, Xi xi_chen at brown.edu
Wed Mar 25 16:14:20 GMT 2015

Dear Molpro Team:

I am running some disk expensive jobs on a shared filesystem.
Because the temp file reaches around 600GB at the peak, I need
 to write the temp files to the shared disk. The problem is, while it runs,
it cause slowdowns to the whole systems  so that  I can only run 2 or 3
jobs each time
and it is slower than using the memory directly.

I do get a suggestion about using "GDIRECT" key word.
However, since I need use uccsd(T) method, it can not work.

Any ideas to deal with this problem? Ex: decreasing the size of the temp
Thanks in advance.


Graduate Student
Department of Chemistry
Brown University
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