Error atfter one step VASP calculation
Posted: Wed Nov 25, 2009 6:53 am
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>
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>