[gmx-developers] solution of the restart problem

Carlo Camilloni carlo.camilloni at gmail.com
Wed Oct 5 18:47:03 CEST 2011


I found the problem, and maybe a solution,

the problem is the check_multi_int call in mdrun.c at line 599,
I think that the bug is that only the master nodes should call this check.
so the solution I found is to change line 598
from 

if(MULTISIM(cr))

to 

if(MULTISIM(cr) && MASTER(cr))

and after this correction everything works fine.


Best,
Carlo





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