[gmx-users] problem with openmpi and gromacs4.0

[hui sun]

  Dear all,
   
  Recently, we installed the gromacs4.0 with openmpi parallel program. When we started a simulation with np=1, the simulation was finished normally. But when the same tpr file was run with np=n (n>1), I obtained the following error message:
   
  MPI_ABORT invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode -1
   
  My used command is & mpirun -np 32 -hostfile mpd.hosts mdrun_mpi -s large.tpr -o large.trr -c large.gro -g large.log
   
  The content of the mpd.hosts file is following,
                             node1  slots=8
  . 
  .
  .
  nodex  slots=8 
  It must be noted that my tpr file is produced via the gromacs 3.3.3. Is this related to the error?
  I don't know what to do now and how can I overcome this. Could you help me?
   
  Thanks in advance!
   
  Hui Sun


       
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