[gmx-users] Fw: Error in extendig md run in gromacs

Keerthana S.P Periasamy keerthanasp33 at yahoo.com
Sat Dec 14 06:24:39 CET 2013

On Saturday, December 14, 2013 10:51 AM, Keerthana S.P Periasamy <keerthanasp33 at yahoo.com> wrote:

          initially I used 4processors for mdrun and due to some power fluctuations i have restatrted my file using 8 processors. I am getting the message as follows. I want to know whether I am correct?

 #nodes mismatch,
    current program: 12
    checkpoint file: 4

  #PME-nodes mismatch,
    current program: -1
    checkpoint file: 0

Gromacs binary or parallel settings not identical to previous run.
Continuation is exact, but is not guaranteed to be binary identical.


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