[molpro-user] Questions about prallel execution
jghill at wsu.edu
Sat Dec 13 19:02:26 GMT 2008
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
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
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
> -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,
> Molpro-user mailing list
> Molpro-user at molpro.net
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