[gmx-users] domain decomposition
Dhrubajyoti Maji
dmaji43 at gmail.com
Wed Aug 21 07:00:47 CEST 2019
Dear all,
I am simulating a system consisting urea molecules. After successfully
generating tpr file while I am trying to run mdrun, the following error is
appearing.
Fatal error:
There is no domain decomposition for 72 ranks that is compatible with the
given box and a minimum cell size of 0.5924 nm
Change the number of ranks or mdrun option -rcon or -dds or your LINCS
settings.
All bonds are constrained are by LINCS algorithm in my system and dimension
of my box is 3.40146 nm. I have checked gromacs site as well as mailing
list but couldn't understand what to do. Please help me with the issue.
Thanks and regards.
Dhrubajyoti Maji
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