[gmx-users] what is "MPI process rank 0 (n0, p18041) caught a SIGSEGV"

[Mahnam]

In God We Trust
Hello GMX users
I want to do QM/MM by Gromacs and mopac7.I installed Gromacs and mopac7.I am using ffoplsaa. grompp make tpr ,but when I run mdrun it says:

Back Off! I just backed up a.log to ./#a.log.5#
Reading file a4.tpr, VERSION 3.3 (single precision)
QM/MM calculation requested.
Layer 0
nr of QM atoms 147
QMlevel: PM3/STO-3G

 

           MAXIMUM NUMBER OF ATOMIC ORBITALS EXCEEDED
           MAXIMUM ALLOWED = 200
keywords are: PRECISE GEO-OK CHARGE=0 GRAD MMOK ANALYT PM3

Back Off! I just backed up a.edr to ./#a.edr.5#
Steepest Descents:
   Tolerance (Fmax)   =  1.00000e+02
   Number of steps    =         1000
 counting the number of NH-C=O groups
MPI process rank 0 (n0, p18041) caught a SIGSEGV.

and here is the end of my md.log file

Initializing LINear Constraint Solver
  number of constraints is 6
  average number of constraints coupled to one constraint is 0.0

Steepest Descents:
   Tolerance (Fmax)   =  1.00000e+02
   Number of steps    =         1000
   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.098311   1707   1710   0.093123
        After LINCS         0.000003   1684   1687   0.000001

Going to use C-settle (1267 waters)
wo = 0.333333, wh =0.333333, wohh = 3, rc = 0.08165, ra = 0.0384897
rb = 0.0192449, rc2 = 0.1633, rone = 1, dHH = 0.1633, dOH = 0.1
Grid: 9 x 9 x 6 cells
Configuring nonbonded kernels...
Testing AMD 3DNow support... not present.
Testing ia32 SSE support... present.

 

I do not have any idea why this is happening?.May I ask you what does it means?
Any help will be greatly appreciated
 
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University
P.O.box 13145-1384
Tehran
Iran
http://www.ibb.ut.ac.ir/

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