hi, On Tuesday 18 July 2006 16:20, Diane Fournier wrote: > Hi gromacs users > > I've already used gromacs single-processor version and I want to use the > parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm > wondering how to proceed, because this does not seem to be explained > properly anywhere. Do I have to give special instructions in grompp to > split the simulation on several processors, or can I use the same .tpr file > I'm using with the single-processor version of mdrun ?
One remark for sgi systems: To get best performance of the shared memory system use mpi mpt (it s sgi mpich version) to compile and run it. Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
