[gmx-users] lincs in parallel runs

Laura Dominguez lauraok at gmail.com
Tue Jan 31 18:41:36 CET 2006

I installed gromacs 3.3 and 3.2 in my cluster account (mpi version) and also
in my computer (not mpi version).
It seems to work perfect and I have been running some simulations with one
If i try to use multiple processors (2 or more) my simulation crash because
of "Relative constrain deviation after LINCS"  what am I doing wrong? it is
the same system and it works in one node but not in multiple nodes.

I have already try to fix it with all the problems listed about LINCS but it
doesn't work

Laura D
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