Unless you have multiple users and want to use SLURM as your scheduler/Manager for who gets to run when, you could just make a machines file and feed that to mpirun to use all of the computers (nodes) all of the time.
=================== Micholas Dean Smith, PhD. MRSC Post-doctoral Research Associate University of Tennessee/Oak Ridge National Laboratory Center for Molecular Biophysics ________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Alexander Tzanov <alexander.tza...@csi.cuny.edu> Sent: Wednesday, November 6, 2019 10:46 AM To: gmx-us...@gromacs.org <gmx-us...@gromacs.org> Subject: [EXTERNAL] Re: [gmx-users] Slurm for GROMACS No you do not. If you are the only user. On Nov 6, 2019 9:04 AM, "Shradheya R.R. Gupta" <shradheyagu...@gmail.com> wrote: Thank you sir for your response. For personal cluster of 6 computers where I will be using all the nodes to its fullest everytime still needed slurm? Thank you On Tue, 5 Nov, 2019, 7:32 PM Mark Abraham, <mark.j.abra...@gmail.com> wrote: > Hi, > > SLURM and OpenMPI do different things. SLURM is a resource manager, from > which you might request multiple compute nodes. OpenMPI is a parallelism > library that allows a program to run on those nodes. GROMACS is the > program, and it doesn't care which MPI library is in use, or which resource > manager sits above that. So SLURM + OpenMPI + GROMACS is fine. > > Mark > > On Tue, 5 Nov 2019 at 14:51, Shradheya R.R. Gupta < > shradheyagu...@gmail.com> > wrote: > > > Researchers, > > Is slrum required to run GROMACS on multiple computers or OpenMPI is > fine? > > > > Thank you > > Shradheya > > DBT-BIF University of Rajasthan > > -- > > 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. > -- 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. -- 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.