SIGSEGV, segmentation fault occurred

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SIGSEGV, segmentation fault occurred

Postby ehsanjan » Tue May 10, 2016 8:56 am

I am running VASP on supercomputer. I tried to run a script but I got the error 174 at the bottom of this post. could you please help me?

script file:
#!/bin/bash -l
#SBATCH --nodes=2
#SBATCH --account=pawsey0130
#SBATCH --job-name=CrN-pnma
#SBATCH --time=00:10:00
#SBATCH --partition=workq
#SBATCH --export=NONE
#SBATCH --mail-type=ALL
#SBATCH --mail-user=e.mohammadpour@murdoch.edu.au

module swap PrgEnv-cray PrgEnv-intel
module load vasp

for i in 0.9 0.91 0.92 0.93 0.94 0.95 0.96 0.97 0.98 0.99 1 ; do
cat >POSCAR <<!
$i
5.7328817594133703 0.0000000000000000 0.0000000000000000
0.0000000000000000 2.8793199537534271 0.0000000000000000
0.0000000000000000 -0.0000000000000000 4.0616691748242628
Cr N
4 4
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.2500000000000000 0.5000000000000000 0.5000000000000000
0.7500000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 -0.0000000000000000 -0.0000000000000000
0.2500000000000000 0.5000000000000000 -0.0000000000000000
-0.0000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 -0.0000000000000000 0.5000000000000000
0.7500000000000000 0.5000000000000000 0.0000000000000000

0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
!
echo "a=$i" ; aprun -n 24 -N 12 vasp > vasp.log.$i

E=‘tail -n 1 OSZICAR‘ ; echo $i $E >>SUMMARY.fcc
done
cat SUMMARY.fcc

INCAR:

Start parameter fo this run
ISTART=1
EDIFFG=1E-5
EDIFF=1E-2
Electronic Relaxation
ENCUT=500.0
LREAL=A
ALGO=FAST
MAXMIX=80
PREC=Medium
AMIN=0.01
Ionic Relaxation
IBRION=2
POTIM = 0.2
NSW=100
ISIF=3
NBANDS=408
LASPH = .TRUE
PREC=Medium
ICHARG=1
IALGO=48
LPLANE=T



Kpoints:

Automatic mesh
0 ! number of k-points = 0 ->automatic generation scheme
M ! generate a Gamma centered grid
2 2 2 ! subdivisions N_1, N_2 and N_3 along recipr. l. vectors
0. 0. 0. ! optional shift of the mesh (s_1, s_2, s_3)


error:
a=0.9
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libintlc.so.5 00002AAAAE074229 Unknown Unknown Unknown
libintlc.so.5 00002AAAAE072BA0 Unknown Unknown Unknown
vasp 00000000015FD112 Unknown Unknown Unknown
vasp 00000000015AA223 Unknown Unknown Unknown
vasp 00000000015AFF1B Unknown Unknown Unknown
libpthread.so.0 00002AAAAFD30850 Unknown Unknown Unknown
vasp 000000000054BB8A Unknown Unknown Unknown
vasp 000000000040C496 Unknown Unknown Unknown
vasp 0000000000407376 Unknown Unknown Unknown
libc.so.6 00002AAAAFF5CC36 Unknown Unknown Unknown
vasp 0000000000407269 Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
ehsanjan
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