[gmx-users] Parallel gromacs job: unknown error.

[Mr.Sridhar]

Hi GMX users,

I am running positinal restrained dynamics with parallel mdrun using 4
nodes using load leveller. The grompp (also run using 4 nodes) ran well
and produced the tpr file where as mdrun has stopped giving the following
message  which I could not understand.

################################################################
   Copyright (c) 1991-2002, University of Groningen, The Netherlands
         This program is free software; you can redistribute it and/or
          modify it under the terms of the GNU General Public License
         as published by the Free Software Foundation; either version 2
             of the License, or (at your option) any later version.

        :-)
/home/others/hanram/SRIDHAR/GROMACS/powerpc-ibm-aix5.1.0.0/power4/bin/mdrun_mpi_gigabit
(-:

Option     Filename  Type          Description
------------------------------------------------------------
  -s b4pr_1cyp_WT.tpr  Input         Generic run input: tpr tpb tpa
  -o pr_1cyp_WT.trr  Output        Full precision trajectory: trr trj
  -x       traj.xtc  Output, Opt.  Compressed trajectory (portable xdr
format)
  -c pr_1cyp_WT.gro  Output        Generic structure: gro g96 pdb
  -e pr_1cyp_WT.edr  Output        Generic energy: edr ene
  -g         md.log  Output        Log file
-dgdl      dgdl.xvg  Output, Opt.  xvgr/xmgr file
-table    table.xvg  Input, Opt.   xvgr/xmgr file
-rerun    rerun.xtc  Input, Opt.   Generic trajectory: xtc trr trj gro g96
pdb
 -ei        sam.edi  Input, Opt.   ED sampling input
 -eo        sam.edo  Output, Opt.  ED sampling output
  -j       wham.gct  Input, Opt.   General coupling stuff
 -jo        bam.gct  Input, Opt.   General coupling stuff
-ffout      gct.xvg  Output, Opt.  xvgr/xmgr file
-devout   deviatie.xvg  Output, Opt.  xvgr/xmgr file
-runav  runaver.xvg  Output, Opt.  xvgr/xmgr file
 -pi       pull.ppa  Input, Opt.   Pull parameters
 -po    pullout.ppa  Output, Opt.  Pull parameters
 -pd       pull.pdo  Output, Opt.  Pull data output
 -pn       pull.ndx  Input, Opt.   Index file
-mtx         nm.mtx  Output, Opt.  Hessian matrix

      Option   Type  Value  Description
------------------------------------------------------
      -[no]h   bool     no  Print help info and quit
      -[no]X   bool     no  Use dialog box GUI to edit command line
options
       -nice    int     19  Set the nicelevel
     -deffnm string         Set the default filename for all file options
         -np    int      4  Number of nodes, must be the same as used for
                            grompp
      -[no]v   bool     no  Be loud and noisy
-[no]compact   bool    yes  Write a compact log file
  -[no]multi   bool     no  Do multiple simulations in parallel (only with
-np
                            > 1)
   -[no]glas   bool     no  Do glass simulation with special long range
                            corrections
 -[no]ionize   bool     no  Do a simulation including the effect of an
X-Ray
                            bombardment on your system


Back Off! I just backed up md1.log to ./#md1.log.1#

Back Off! I just backed up md3.log to ./#md3.log.1#

Back Off! I just backed up md2.log to ./#md2.log.1#

Back Off! I just backed up md0.log to ./#md0.log.1#
Reading file b4pr_1cyp_WT.tpr, VERSION 3.1.4 (single precision)
Reading file b4pr_1cyp_WT.tpr, VERSION 3.1.4 (single precision)
ERROR: 0031-250  task 2: Illegal instruction
ERROR: 0031-250  task 1: Illegal instruction
ERROR: 0031-250  task 0: Terminated
ERROR: 0031-250  task 3: Terminated
############################################################################

The error is not obvious. Any body could suggest what could be wrong ?


sridhar