[BioBrew Users] all parallel capable?
Glen Otero
glen at callident.com
Tue Sep 12 20:43:42 EDT 2006
Anna-
Did you work out your problems with Gromacs? If so, what did you do
to make it work?
Glen
On Sep 6, 2006, at 8:14 AM, Anna Marabotti wrote:
> Dear Glen,
> I'm joining the discussion about parallelism. I have Rocks 4.1
> installed on
> a cluster with x86_64 architecture, with BioBrew 4.1.2-1 roll. At
> present,
> I'm testing GROMACS, which should be able to run in parallel, but
> although I
> tried to use it with 2 nodes, it only works on the frontend. When I
> tried to
> force GROMACS to run in parallel, it gave me the following message:
> "Fatal
> error: GROMACS compiled without MPI support - can't do parallel
> runs". Is
> this a problem of installation or something else went wrong? Could you
> please help me?
> Thank you and regards
> Anna
>
> ______________________________________________
> Anna Marabotti, Ph.D.
> Laboratorio di Bioinformatica e Biologia Computazionale
> Istituto di Scienze dell'Alimentazione, CNR
> Via Roma 52 A/C
> 83100 Avellino (Italy)
> Tel: +39 0825 299651
> Fax: +39 0825 299813
> Skype: annam1972
> E-mail: amarabotti at isa.cnr.it
> Web page: http://bioinformatica.isa.cnr.it/anna.htm
> ____________________________________________________
> "If you think you are too small to make a difference, try sleeping
> with a
> mosquito"
>
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