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SIGSEGV, segmentation fault occurred

Posted: Sun Dec 13, 2009 12:31 pm
by zyyin
I am running a graphene calculation, but keep getting the following error:
POSCAR found : 2 types and 26 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp 081E9D6B Unknown Unknown Unknown
vasp 08200F20 Unknown Unknown Unknown
liblapack.so.3 00E8B84C Unknown Unknown Unknown
vasp 080E8327 Unknown Unknown Unknown
vasp 0806043B Unknown Unknown Unknown
vasp 0804BB61 Unknown Unknown Unknown
libc.so.6 0085CDEC Unknown Unknown Unknown
vasp 0804BA51 Unknown Unknown Unknown

As suggested in some websites, it is maybe caused by memory limitation. So, I try a new simple model with only a single Fe atom, but still get a similar error as follows:
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
entering main loop
N E dE d eps ncg rms rms(c)
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp 0824337E Unknown Unknown Unknown
. 0036D440 Unknown Unknown Unknown
vasp 08203E51 Unknown Unknown Unknown
vasp 08214164 Unknown Unknown Unknown
vasp 0822A37A Unknown Unknown Unknown
vasp 0819AF04 Unknown Unknown Unknown
vasp 0819FD38 Unknown Unknown Unknown
vasp 08062586 Unknown Unknown Unknown
vasp 0804BB61 Unknown Unknown Unknown
libc.so.6 001A6DEC Unknown Unknown Unknown
vasp 0804BA51 Unknown Unknown Unknown

SIGSEGV, segmentation fault occurred

Posted: Sun Dec 13, 2009 1:24 pm
by zyyin
model with Fe atom:
INCAR
SYSTEM =Fe atom
ISART = 0
ENCUT=450.00 ev
NELMDL=5
ISMEAR =0
SIGMA = 0.1

KPOINTS
Automatic mesh
0
Gamma
1 1 1
0 0 0

POSCAR
Fe
15.0
1.00 0.00 0.00
0.00 1.00 0.00
0.00 0.00 1.00
1
Direct
0 0 0

and use potcar_paw.tar as my pseudopotential lib