On 8/21/19 1:00 AM, Dhrubajyoti Maji wrote:
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.
http://manual.gromacs.org/current/user-guide/run-time-errors.html#there-is-no-domain-decomposition-for-n-ranks-that-is-compatible-with-the-given-box-and-a-minimum-cell-size-of-x-nm
-Justin
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
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