[molpro-user] Molpro across multiple Macs

Kirk Peterson kipeters at wsu.edu
Thu Mar 28 19:17:14 GMT 2013

Hi Jean,

in principle it should be no different from other Linux-based systems.  I use a mpich2-parallel build of Molpro using the Intel fortran compiler and gcc.  I've only used it in parallel runs across multiple cores and not multiple nodes, however.  The performance will certainly depend on what your network fabric is.

best wishes,


On Mar 28, 2013, at 11:26 AM, Jean M. Standard <standard at ilstu.edu> wrote:

> I know that Molpro can be compiled to run on a single Macintosh system. I'd like to know whether or not it's possible to compile Molpro to run in parallel across multiple (about 20) iMacs running Mac OS X 10.8?  If so, does anyone have any pointers with respect to compilation, set up, etc.?
> Thanks much, Jean
> -- 
> ---------------------------------------------------------------------
>   Jean M. Standard                 standard at ilstu.edu
>   Department of Chemistry
>   Illinois State University        Phone: (309) 438-7700
>   Normal, IL 61790-4160            FAX:   (309) 438-5538
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