Deal all, I am doing coarse-grained bonded and nonbonded parametrization using votca-gromacs. The "mpirun -np 64 gmx_mpi mdrun" work fine till step_021 of parametrization where it crashes because it can not find any domain decomposition for 64 ranks that is compatible with the system size. Even it works in the minimization simulation in step_021. I have been reading most of the previous discussions about the error of domain decomposition, and I have tried different options like using different ranks (64, 32, 16, 8, 40, 36) and also -rdd ... or -dds. However, no success yet. About the machine: Running on 4 nodes with total 64 cores, 64 logical cores, Cores per node: 16.
Below I have shared the md.log files for the step_20 (which works fine) and step_21 (minimization which works fine) and step_21 (which crashes), and I would be so appreciated if one could help me overcome the issue. md.log-20 https://drive.google.com/open?id=1ZwYggDI1Hy_eYY8_nT8I50t91Wla0Obr md.log-21-mini https://drive.google.com/open?id=1oYE4A6fC1L8u_vx4sR8RIq3EWiG9-7YB md.log-21 https://drive.google.com/open?id=1ff_QJrdGvLFgwGU9xMY-IcqfxzF2jkAO Thank you. Regards, Alex -- 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.
