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" > > _______________________________________________ > BioBrew-Users mailing list > BioBrew-Users at bioinformatics.org > https://bioinformatics.org/mailman/listinfo/biobrew-users >