[gmx-users] MPI: MPI_COMM_WORLD rank 1 has terminated without calling MPI_Finalize()

[Wei Fu]

Hi, Tivadar Orban,  hi, everyone,

    I am a new gromacs user. I have browsed the gromacs mailing list and found tht I encounter the same problem with you when I run "mpirun -np 4 mdrun_mpi ...",  the following information appears, then mpirun aborts.

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Back Off! I just backed up ener.edr to ./#ener.edr.1#
Steepest Descents:
   Tolerance         =  2.00000e+03
   Number of steps   =          100
MPI: MPI_COMM_WORLD rank 1 has terminated without calling MPI_Finalize()
MPI: Received signal 11
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    To my surprise, when my system is only protein+sol, the mpirun can succssessfully pass. when my system is protein+sol+lipid without using the couloumbtype=PME im em.mdp, the mpirun also can pass, but when I use couloumbtype=PME, the above information appears. Even I return to without using couloumbtype=PME in em.mdp, the above information still appears. At last, I try to run " mpirun -np 4 mdrun_mpi -s run.tpr ..." on protein+sol system (miss lipid) with and without couloumbtype=PME in em.mdp, the mpirun can pass. 

    Hi, Orban, can you tell me how to solve this problem? Anyone can help me?  Any suggestion is welcome. 

    Thanks in advance! 

Best regards,

Wei Fu 

2002-11-07

******************************************

      Ms. Wei Fu, Ph.D.
      State Key Laboratory of Drug Research     
      Shanghai Institute of Materia Medica
      Chinese Academy of Sciences         
      294 Taiyuan Road
      Shanghai, 200031        
      P.R. China
      wfu at mail.shcnc.ac.cn  or  fuweifw at yahoo.com
      wfu at iris3.simm.ac.cn 




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Back Off! I just backed up ener.edr to ./#ener.edr.4#
Steepest Descents:
   Tolerance         =  1.00000e+03
   Number of steps   =          100
MPI: MPI_COMM_WORLD rank 1 has terminated without calling MPI_Finalize()
MPI: aborting job

Can someone tell me what is the problem here?

Regards,
Tivadar, Orban