Job fails when changing the lattice parameter

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


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nkwem
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Posts: 12
Joined: Tue Feb 23, 2010 7:31 am
License Nr.: 5-44
Location: South Africa

Job fails when changing the lattice parameter

#1 Post by nkwem » Tue Jul 31, 2012 11:15 am

Hi,

My job is running fine with a lattice parameter of 13 but when I change it to 14 and 15 the job fails with the message:
***************************************************
running on 12 nodes
distr: one band on 1 nodes, 12 groups
vasp.5.2.11 18Jan11 complex
POSCAR found type information on POSCAR Fe
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
WAVECAR not read
entering main loop
N E dE d eps ncg rms ort
rank 11 in job 1 cnode-9-7_56605 caused collective abort of all ranks
exit status of rank 11: killed by signal 11
rank 10 in job 1 cnode-9-7_56605 caused collective abort of all ranks
exit status of rank 10: killed by signal 9
rank 5 in job 1 cnode-9-7_56605 caused collective abort of all ranks
exit status of rank 5: killed by signal 11
rank 4 in job 1 cnode-9-7_56605 caused collective abort of all ranks
exit status of rank 4: killed by signal 11
***************************************************

My INCAR file is as follows:

ISPIN=2
ISMEAR=0 ; SIGMA = 0.1
LHFCALC = .TRUE. ; HFSCREEN = 0.2
ALGO = Damped; TIME = 0.4
NKRED = 2
PRECFOCK= F

My POSCAR is as follows:

Fe
14
1.00000000000000 0.00000000000000 0.00000000000000
0.00000000000000 1.00000000000000 0.00000000000000
0.00000000000000 0.00000000000000 1.00000000000000
Fe
1
direct
0.00000000000000 0.00000000000000 0.00000000000000

Please help me.

Regards,
Nkwe
Last edited by nkwem on Tue Jul 31, 2012 11:15 am, edited 1 time in total.

support_vasp
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Re: Job fails when changing the lattice parameter

#2 Post by support_vasp » Tue Sep 10, 2024 2:21 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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