[gmx-users] gmx3.2.1 - alpha cluster

Nuno Ricardo Loureiro Ferreira nunolf at ci.uc.pt
Wed Apr 7 15:52:00 CEST 2004

Hi *

Tryed to install this new version of gmx in a compaq EV67 cluster with MPICH.
I think that the installation went just fine. In one node the dppc benchmark 
run OK. But when I tried to run in two nodes, I get the following error:

mdrun_mpi -np 2 -s topol.tpr -v

Getting Loaded...
Reading file topol.tpr, VERSION 3.2.1 (single precision)
Fatal error: run input file topol.tpr was made for 2 nodes,
             while mdrun_mpi expected it to be for 1 nodes.
[0] MPI Abort by user Aborting program !
[0] Aborting program!
    p4_error: latest msg from perror: No such file or directory

It seems that mdrun is only prepared to receive serial jobs, in spite of 

Any insights are appreciated.

P.S. Some time ago I reported also a problem on the gmx314 installation on 
the same machine. In fact, I never was successfull in runnig a mpi version 
of gromacs in this machine. I know that this ev67 machines are getting old 
nowadays, but my resources are what they are ;)

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