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forrtl: error (78): process killed (SIGTERM)

Posted: Fri May 15, 2015 1:49 pm
by compu_nano
Hi,
I am a new user to VASP.
While running the problem on cluster of a simple MoS2 supercell, I get the following error.
Terminated
> forrtl: error (78): process killed (SIGTERM)
> Image PC Routine Line Source
> vasp 0000000000586BDE Unknown Unknown Unknown
> vasp 0000000000422A1F Unknown Unknown Unknown
> vasp 000000000040871C Unknown Unknown Unknown
> libc.so.6 000000350EA1ECDD Unknown Unknown Unknown
> vasp 0000000000408619 Unknown Unknown Unknown
> forrtl: error (78): process killed (SIGTERM)

Any particular reason for the same.

And how can it be resolved?
Looking forward to a reply.

Re: forrtl: error (78): process killed (SIGTERM)

Posted: Tue May 19, 2015 8:14 am
by compu_nano
Hi,
I am following the paper Nanoscale, 2011, 3, 3883 and using vasp for graphene MOS2 interface.
I get the following error.
vasp.5.3.5 31Mar14 (build May 01 2015 12:24:49) complex

POSCAR found type information on POSCAR Au C
POSCAR found : 2 types and 164 ions

-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| For LVTOT=.TRUE. VASP.5.x writes the TOTAL local potential to |
| the file LOCPOT. If you want the Hartree contributions only, use |
| LVHAR=.TRUE. instead. |
| |
-----------------------------------------------------------------------------

LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...
WAVECAR not read
why does this happen?

The contents of INCAR file are
# Basic setup:
ISPIN = 1
LSORBIT = .FALSE.
# not using Hubbard U

# Accuracy controls:
PREC = High
# Use default energy cutoff for PREC

# Electronic loop controls:
ALGO = Conjugate # Conjugate (All)
EDIFF = 0.000100
NELMIN = 2
NELM = 60
TIME = 0.400000
ISMEAR = -1 # Fermi smearing
SIGMA = 0.200000 # eV
# NBANDS - using default

# Relaxation control:
IBRION = 2 # Conjugate gradient
NSW = 50
POTIM = 0.500000
ISIF = 3 # Ions Cell Volume
EDIFFG = -0.020000

# Properties:
LCHARG = .TRUE.
LWAVE = .TRUE.
LELF = .TRUE.
LVTOT = .TRUE.
LVHAR = .FALSE.

Please reply.