Oh, thanks for correction. I'm sorry I got the exact details wrong. Didn't want to confuse anyone.
Jan Mark Abraham schrieb: > kobi wrote: >> Hi Francisco >> >> If you intalled gromacs-mpi directly, then try to use just mdrun instead >> of mdrun_mpi. Normally you only have a mdrun_mpi if the >> singleprocessorversion was installed first and you only added the >> multiprocessorversion afterwards. > > Not strictly true. You need mdrun_mpi for MPI mdrun if you used the > combination of --enable-mpi and --program-suffix=_mpi as recommended > in the gromacs webpage installation guide. If you used only the former > then obvously mdrun_mpi will not be found. If you used only the > latter, then that name would refer to a single-processor version(!) > > It is not the fact of installing a single processor version followed > by a multiprocessor version that creates the naming difference, it is > the use of the --program-suffix directive, which you want to use to > avoid name clashes. Simply doing a configure with the above directives > and then just "make install-mdrun" makes a stand-alone MPI mdrun > perfectly. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > 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 > > _______________________________________________ gmx-users mailing list [email protected] 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
