[gmx-users] domain decomposition error
chhayasingh014 at gmail.com
Mon Jun 18 09:21:25 CEST 2018
I am running a simulation having protein in implicit solvent using amber
ff99sb forcefield and gbsa as solvent .
I am not able to use more than one cpu.
It always gives domain decomposition error if i use more than one cpu.
when i tried running using one cpu then it gave me this error :
Too many LINCS warnings (12766)
If you know what you are doing you can adjust the lincs warning threshold
in your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem".
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