[gmx-users] abnormal termination while mdrun_mpi

pandey at bioinfo.ernet.in pandey at bioinfo.ernet.in
Thu Jul 22 13:39:48 CEST 2004

Hi group,
I have started working on gromcas quite recently.
I am using parallel processing with MPI.
But, when i submit task for grompp and mdrun, the grompp get execute
sucessfully, error comes in mdrun_mpi execution.It gets terminated

I have test the input file for correctness on single processor, it runs

Below is the part of error message
Reading file /home/others/indira/gromacs_prag/new/input.tpr, VERSION 3.1.4
(single precision)
Reading file /home/others/indira/gromacs_prag/new/input.tpr, VERSION 3.1.4
(single precision)
Steepest Descents:
   Tolerance         =  1.00000e+00
   Number of steps   =         2000
ERROR: 0031-250  task 2: Segmentation fault
ERROR: 0031-250  task 3: Terminated
ERROR: 0031-250  task 1: Terminated
Any help would be appreciated

Thanks and regards

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