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Error atfter one step VASP calculation

Posted: Wed Nov 25, 2009 6:53 am
by bxcute
Dear all:
Can anyone help me?when I do the VASP calculation,the error always exists,the out file is:
************************************
WARNING: Can't read mpd.hosts for list of hosts, start only on current
running on 4 nodes
distr: one band on 1 nodes, 4 groups
vasp.4.6.21 23Feb03 complex
POSCAR found : 3 types and 22 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 3
reading WAVECAR
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.201402253418E+04 0.20140E+04 -0.95981E+04 3536 0.137E+03
DAV: 2 0.896803390149E+02 -0.19243E+04 -0.18030E+04 3648 0.419E+02
DAV: 3 -0.661182577778E+02 -0.15580E+03 -0.14771E+03 4096 0.109E+02
DAV: 4 -0.716692551531E+02 -0.55510E+01 -0.54756E+01 3904 0.214E+01
DAV: 5 -0.718240163942E+02 -0.15476E+00 -0.15447E+00 4056 0.322E+00 0.130E+01
RMM: 6 -0.669248209883E+02 0.48992E+01 -0.14907E+01 3543 0.144E+01 0.349E+00
RMM: 7 -0.667569791250E+02 0.16784E+00 -0.19542E+00 3552 0.329E+00 0.193E+00
RMM: 8 -0.666061394318E+02 0.15084E+00 -0.23711E-01 3562 0.127E+00 0.119E+00
RMM: 9 -0.666996339621E+02 -0.93495E-01 -0.83091E-02 3551 0.835E-01 0.123E+00
RMM: 10 -0.665620547739E+02 0.13758E+00 -0.37775E-02 3553 0.630E-01 0.291E-01
RMM: 11 -0.665592255020E+02 0.28293E-02 -0.10806E-02 3547 0.308E-01 0.629E-02
RMM: 12 -0.665597683459E+02 -0.54284E-03 -0.80335E-04 2974 0.640E-02 0.422E-02
RMM: 13 -0.665604566005E+02 -0.68825E-03 -0.43447E-04 2415 0.694E-02 0.174E-02
RMM: 14 -0.665610100906E+02 -0.55349E-03 -0.24302E-04 2191 0.390E-02 0.766E-03
RMM: 15 -0.665611822845E+02 -0.17219E-03 -0.62360E-05 1947 0.158E-02 0.435E-03
RMM: 16 -0.665613879551E+02 -0.20567E-03 -0.12009E-04 2011 0.199E-02 0.243E-03
RMM: 17 -0.665614382860E+02 -0.50331E-04 -0.38627E-05 1479 0.867E-03
1 F= -.66561240E+02 E0= -.66562917E+02 d E =-.665612E+02
rank 1 in job 1 cu46_36814 caused collective abort of all ranks
exit status of rank 1: killed by signal 11

*******************************************


And my INCAR is:

*********************
PREC = Accurate
ISTART = 0
ICHARG = 2
# ISPIN = 2
EDIFF = 1E-4
NELMIN =8
EDIFFG=-0.01
ALGO=FAST
IALGO=48
GGA=91
ISMEAR = 1
SIGMA=0.10
ENCUT = 460
VOSKOWN=1
ISIF=2
NSW=3000
IBRION=1
IDIPOL=3
LREAL=.T
********************

Thanks a lot!
<span class='smallblacktext'>[ Edited ]</span>

Re: Error atfter one step VASP calculation

Posted: Wed Sep 11, 2024 2:11 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