[molpro-user] parallel excustion problem

Jörg Saßmannshausen jorg.sassmannshausen at strath.ac.uk
Wed Feb 3 14:55:09 GMT 2010


Hi all,

jumping into that discussion, whereas I understand the -n option, I somehow 
could never really work out how to supply a hostlist for Molpro when I want 
to run a job at different nodes. I am wondering if that was the original 
question as well?

All the best

Jörg


On Tuesday 02 February 2010 09:21:57 Manhui Wang wrote:
> Hi Mahesh,
>    Like the manual (2.2.1 Specifying parallel execution) says, the
> number specifies how many parallel processes will be set up to run
> Molpro. 32 processes (8*4) would probably be fine for you in normal case.
>
> Best wishes,
> Manhui
>
> mahesh kumar wrote:
> > Greetings,
> >
> > I am a new user of Molpro and have a hard time understanding -n option
> > for parallel execution.
> > What would be a sensible input for -n option if I were to run Molpro in
> > parallel
> > on four 8-core nodes interconnected by a gigabit network ?
> >
> > Any help would be very much appreciated.
> >
> > Thank you,
> > Mahesh
> >
> >
> >
> >       The INTERNET now has a personality. YOURS! See your Yahoo!
> > Homepage. http://in.yahoo.com/
>
> --
> -----------
> Manhui  Wang
> School of Chemistry, Cardiff University,
> Main Building, Park Place,
> Cardiff CF10 3AT, UK
> Telephone: +44 (0)29208 76637
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> Molpro-user at molpro.net
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Jörg Saßmannshausen
Research Fellow
University of Strathclyde
Department of Pure and Applied Chemistry
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