[molpro-user] Questions about prallel execution

Grant Hill jghill at wsu.edu
Sat Dec 13 19:02:26 GMT 2008

Hi Zhendong,

This is very much system dependent, but generally a single box means a  
shared memory system and you should be able to execute with molpro -n  
4 input.com.

The memory specified in your input file is requested per process, so  
the example above will use 4 times what you requested in input.com.  
You should be able to verify this with top or equivalent system  
monitoring tool.



On 12 Dec 2008, at 18:25, zhendong zhao wrote:

> Dear MolPro users,
> I am a new molpro user, and I am a bit of confused with parallel
> excuting molpro.
> For a multiple-core CPU box, is this a shared-memory system or
> distritued memory system? Should I use molpro -n 4 input.com, or  
> molpro
> -n 1:4 input.com?
> In a parallel calculation, what does the memory  specification in the
> input file mean?  It stands for the total memory requested or memory
> requested per core/processor? what is the  relation with command line
> supplied working memory?
> Thanks in advance,
> Zhendong
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> Molpro-user at molpro.net
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