Due to changes is default *.mdp files from "ns_type = grid" to "ns_type = simple" the GROMACS 5.0 support is now broken with error (mdrun):
"Fatal error:
Domain decomposition does not support simple neighbor searching, use grid searching or run with one MPI rank
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors"
We should ensure that default option for "ns_type" for GROMACS 5.0 is grid.
Due to changes is default *.mdp files from "ns_type = grid" to "ns_type = simple" the GROMACS 5.0 support is now broken with error (mdrun): "Fatal error: Domain decomposition does not support simple neighbor searching, use grid searching or run with one MPI rank For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors"
We should ensure that default option for "ns_type" for GROMACS 5.0 is grid.
GROMACS 5.1 and 2016.X is working fine.