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GROMACS 5.0 will not work with "ns_type = simple" #84

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ghost opened this issue Apr 12, 2017 · 0 comments
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GROMACS 5.0 will not work with "ns_type = simple" #84

ghost opened this issue Apr 12, 2017 · 0 comments
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ghost commented Apr 12, 2017

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.

@ghost ghost added the bug label Apr 12, 2017
@ghost ghost added this to the Version 2.1 milestone Apr 12, 2017
@ghost ghost removed this from the Version 2.1 milestone Jun 7, 2017
ghost pushed a commit that referenced this issue Jun 7, 2017
@ghost ghost closed this as completed Jun 7, 2017
This issue was closed.
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