> On 11. Feb 2018, at 20:13, Daniel Kozuch <dan.koz...@gmail.com> wrote:
> 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?
> 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
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.