[molpro-user] Question about Memory usage

Kirk Peterson kipeters at wsu.edu
Mon Mar 23 21:08:59 GMT 2009

The one caveat is that the memory you specify in the input file is a  
per process memory.  So if you run Molpro 4-way parallel the total  
of memory would be 256MB x 4 = 1GB in your case.  Even with that,  
though, I'm not sure why your job used all of your available memory.   
The residence
size of the executable is not all that big.  Can you do a "top" while  
molpro is running to confirm that it is the process taking so much  


On Mar 23, 2009, at 7:58 AM, zhendong zhao wrote:

> Dear Molpro users,
> I successfully compiled molpro 2008.1. Then I run bench tests on a box
> with Intel CPU Q6600 and 4GB memory.
> I try to run this job, bench/mpp_big_direct_lmp2.com using 4 cores,  
> the
> job consumed 4GB memory and filled the swap partition, so the
> calculation is terribly slow. If molpro uses 2 cores, the speed is
> fine, because it never use swap. My question is, the input file only
> requests "memory,32,m", 32mw in 64bit OS is 32x8MB = 256MB, why the  
> job
> demands so many memory, how does molpro use memory?
> Thanks in advance.
> ZZ
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