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Some problems on running NEB

Posted: Thu Dec 18, 2008 9:11 am
by oliver_nwpu
Dear VASP users,

I have used NEB to search TST, but the following errors occurs:
__________________________________________________________
running on 3 nodes
each image running on 3 nodes
distr: one band on 1 nodes, 3 groups
vasp.4.6.6 17Mar03 complex
01/POSCAR found : 1 types and 26 ions
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred


-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection operators |
| So try LREAL=.TRUE. in the INCAR file. |
| Mind: If you want to do an extremely accurate calculations keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
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LDA part: xc-table for Ceperly-Alder, standard interpolation
-----------------------------------------------------------------------------
One of the processes started by mpirun has exited with a nonzero exit
code. This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 24518 failed on node n1 (172.16.1.76) with exit status 174.
-----------------------------------------------------------------------------
forrtl: error (78): process killed (SIGTERM)

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the INCAR is :
SYSTEM = test NEB
Prec=Accurate
ENCUT=300
ISTART=0
ISMEAR=1
SIGMA=0.15
NSW=40
IMAGES=1
SPIRNG=-5
NELMIN = 4
IBRION=1
NFREE=10
ISIF=3
LCHARG=.FALSE.
LWAVE=.FALSE.
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I don't understant why this problem happen. Could some one help me to understand this and I would really appreciate your help with this.

Re: Some problems on running NEB

Posted: Wed Sep 04, 2024 2:05 pm
by support_vasp

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