Hi, I am not the one who built it, but it is MPI supported.
> Have your built the GROMACS with MPI-support? > > Regards, > Yang Ye > > On 8/1/2007 4:35 AM, [EMAIL PROTECTED] wrote: >> Dear Gromacs users, >> >> I am trying to do Parellel calculations using Gromacs on a Rocks >> cluster >> that has MPI enabled. >> >> Has anybody encountered the following error: >> >> Program mdrun, VERSION 3.3.1 >> Source code file: init.c, line: 69 >> >> Fatal error: >> run input file RecpAntiP-cl#1-SG-consP-L0-1-G.tpr was made for 2 nodes, >> while mdrun expected it to be for 1 nodes. >> ------------------------------------------------------- >> >> "Fresh Air, Green Hair" (Frank Black) >> >> Halting program mdrun >> >> gcq#303: "Fresh Air, Green Hair" (Frank Black) >> >> [0] MPI Abort by user Aborting program ! >> [0] Aborting program! >> p0_31660: p4_error: : -1 >> p4_error: latest msg from perror: No such file or directory >> p0_31659: p4_error: : -1 >> >> >> I ran this command for Parellel calculation: >> >> mpirun -np 2 mdrun -deffnm filename >> >> >> Thanks in advance, >> >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> 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 >> >> > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before > posting! > 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 > > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
