Please provide a full log file output. -- Szilárd
On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz <osmany.guir...@biocomp.cigb.edu.cu> wrote: > Hi > > I am having problems running mdrun command compiled with GPU > support(cuda 9.0). > here is the output of the mdrun command.... > > ........ > Using 1 MPI thread > Using 4 OpenMP threads > > 1 compatible GPU is present, with ID 0 > 1 GPU auto-selected for this run. > Mapping of GPU ID to the 1 PP rank in this node: 0 > > > WARNING: Just caught a previously occurred CUDA error (no kernel image > is available for execution on the device), will try to continue. > > > ------------------------------------------------------- > Program: gmx mdrun, version 2016.4 > Source file: src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu (line 740) > > Fatal error: > cudaFuncSetCacheConfig failed: invalid device function > > For more information and tips for troubleshooting, please check the > GROMACS > website at http://www.gromacs.org/Documentation/Errors > ............... > > > Thanks. > Osmany > > -- > 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.