Ok, thank you for you help. I just opened an issue on https://redmine.gromacs.org, with a description of the error and the .mdp and .tpr files.
It seems that the error appears with large systems, I will work with a smaller box for the moment... ________________________________ De : [email protected] <[email protected]> de la part de Mark Abraham <[email protected]> Envoyé : mardi 27 novembre 2018 11:37:49 À : [email protected] Cc : [email protected] Objet : Re: [gmx-users] Error while launching kernel pme_solve_kernel: invalid argument Hi, That could well be a bug. If things are not supported then we intend to give a clear report about what and why. Can you please open an issue at https://redmine.gromacs.org and attach at least your .tpr (and preferably grompp inputs). Mark On Tue, Nov 27, 2018 at 10:05 AM Gschwend Grégoire < [email protected]> wrote: > Hello everyone, > > > I have the following error message when I try to run a simulation with > walls, 2D periodic boundary conditions and 3dc Ewald geometry with Gromacs > 2018.2. > > > "Error while launching kernel pme_solve_kernel: invalid argument" > > > This error only appears when I try to use a separate pme rank running on > GPU. The command is the following: > > > " gmx mdrun -v -deffnm input -ntmpi 16 -ntomp 2 -npme 1 -pme gpu -nb gpu" > > > Without a separate pme rank on GPU the simulation works fine, much slower > however. > > > Is this a bug or a limitation of Gromacs with the 3dc Ewald ? > > > Thank you for your help and best regards ! > -- > 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 [email protected]. > -- 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 [email protected]. -- 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 [email protected].
