Thanks for the report. Could you please file a redmine issue on redmine.gromacs.org. Would you consider uploading a fix to our code review site too? -- Szilárd
On Wed, Sep 26, 2018 at 9:02 PM LAM, Tsz Nok <z.nok...@link.cuhk.edu.hk> wrote: > Dear all, > > > When I tested my mdrun-only build with MPI support (after also building > the normal, "full" gromacs package), I followed the installation guide web > page on how to test the build by gmxtest.pl, but failed due to some weird > naming issues of the gmx programs. Only the following works: > > > 1. make a copy of the gmxtest.pl, and change the following lines: > > > if ( $mpi_ranks > 0 ) { > if ($autosuffix) { > $gmx_cmd .= "_mpi"; > > > changing the last line to: > > $gmx_cmd .= ""; > > This prevents the perl script to find a command called, e.g. "gmx_mpi > mdrun", which is not the way the "_mpi" suffix was added to program names > ("mdrun_mpi" instead). > > 2. run gmxtest.pl with the following options: > > ./gmxtest_mpi.pl all -crosscompile -np 8 -mdrun mdrun_mpi > > (I have 4 cores in my computer) > > Hope that's the correct to run the test, then the installation guide web > page may need some update to correct for the program naming conventions... > > Please correct me if something's wrong and hope it helps. > > (by the way i use version 2018.3) > > LAM Tsz-Nok > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.