[gmx-developers] solution of the restart problem
Berk Hess
hess at kth.se
Wed Oct 5 18:47:52 CEST 2011
Ah, that sounds like a stupid mistake of mine.
Thanks for finding and posting the solutions so quickly.
Cheers,
Berk
On 10/05/2011 06:47 PM, Carlo Camilloni wrote:
> 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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