Segmentation fault

Problems running VASP: crashes, internal errors, "wrong" results.


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benali

Segmentation fault

#1 Post by benali » Wed Oct 31, 2007 11:45 am

I'm doing calculations on Bi-proc Bi-core Opteron (x86-64), and when i submit my job, it start and stop after 1mn, and the error message is:
/opt/sge/default/spool/n02/job_scripts/65407: line 16: 23065 Segmentation fault ${HOME}/bin/vasp

I'm working on 40 atoms supercell
my KPOINTS file is:
Gamma point shift
7 7 1
0 0 0

and the INCAR file is:
System = CdTe pure 2 atomes

NBANDS = 150 #

LREAL = .TRUE.

LWAVE = .FALSE.

#ISPIND = 2 #makes spin-polarized calc. possible
#ISPIN = 2 #does spin-polarized calc.
#MAGMOM= 4 1 #initial mag. mom. of each atom. 3
PREC = high #cutoff + wrap around errors.
IBRION= 2 #conj. grad. relaxation.
NSW= 50 #numberof ionic steps taken in minimization. Make it odd.
ISIF= 2 #whether stress tensor is calculated, what is allowed to relax.
ENMAX= 170 #cutoff
#ISMEAR = -5 #BZ integration method (Bloechl corrections).
ISMEAR = 1 #BZ integration method (for relaxation runs).
SIGMA = 0.3 #smearing width (keep T*S < 1meV/atom).
#POTIM=0.1 ! Effects FT grid
RWIGS= 1.577 1.535

Can you help me please
Last edited by benali on Wed Oct 31, 2007 11:45 am, edited 1 time in total.

support_vasp
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Re: Segmentation fault

#2 Post by support_vasp » Wed Sep 04, 2024 2:01 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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