[BioBrew Users] all parallel capable?

[Glen Otero]

Anna-

It's possible that you're trying to run gromacs with an mpich that it  
wasn't built with. Which mpi are you trying to use? Can you send me  
the command you are using to try and run gromacs in parallel? If you  
send me the data, configuration, and commands you would like run, I  
can give it a try on a cluster over here.

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
> ____________________________________________________
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