[molpro-user] amount of scratch needed

[Jörg Saßmannshausen]

Dear all.

following up the earlier post regarding scratch files, I got a related 
problem.
If I run the L-CCSD(T) calculation on one node with 4 cores, the amount of 
available disc space for the scratch file (around 117GB) is insufficient. 
Using my home as scratch space (around 760 GB) it is still insufficient. 
Now, if I spread the calculation over several nodes (say 10), does that mean I 
got 1.1 TB on scratch space available and MolPro is spreading it out and I 
got a chance to run the calculatio or does it mean that all the files are 
kept locally and hence I got the same problem regardless how many nodes I 
would use?

Somehow I could not obtain an answer to this from the manual.

All the best

Jörg 

-- 
*************************************************************
Jörg Saßmannshausen
Research Fellow
University of Strathclyde
Department of Pure and Applied Chemistry
295 Cathedral St.
Glasgow
G1 1XL

email: jorg.sassmannshausen at strath.ac.uk
web: http://sassy.formativ.net

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