Hi Dan, > On 11. Feb 2018, at 20:13, Daniel Kozuch <dan.koz...@gmail.com> wrote: > > Hello, > > I was recently trying to use the tune_pme tool with GROMACS 2018 with the > following command: > > gmx tune_pme -np 84 -s my_tpr.tpr -mdrun 'gmx mdrun’ Maybe you need to compile gmx without MPI (so that gmx tune_pme is a serial executable), and a separate mdrun which naturally needs to be MPI-enabled (the latter you pass via -mdrun argument).
> > but I'm getting the following error: > > "Fatal error: > Cannot execute mdrun. Please check benchtest.log for problems!" > > Unfortunately benchtest.log is an empty file. I saw that there were some > similar problems with GROMACS 5. Is this still an issue? What output is there on the command line? Are you running on GPU nodes? Are all shared libraries needed by mdrun actually found? Best, Carsten > > Thanks, > Dan > -- > 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. -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner http://www.mpibpc.mpg.de/grubmueller/sppexa -- 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.
