----- Original Message ----- From: [EMAIL PROTECTED] Date: Monday, February 11, 2008 4:39 pm Subject: [gmx-users] GMX compilation with "--enable-threads" To: gmx-users@gromacs.org
> Many thanks to Mark. > > When "--enable-threads" is omited,the compilation > seems to be fine but > "mdrun" can not run in parallel,e.g. trying to run on 6 nodes: > > grompp -np 6 ..... > mpirun -np 6 .... > > Fatal error: run input file md.tpr was made for 6 nodes,while mdrun_d > expected it to be for 1 nodes There's a theme here. If you were experienced enough to make the judgement about whether omitting details of your command line was appropriate, then you'd be experienced enough to answer your own question. I'm going to guess that you've omitted the -np flag to mdrun, in the absence of information! See "mdrun -h" Mark _______________________________________________ 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
