Dear All:
I have calculated a system using VASP,but only after one step,the job is aborted,and the error imformation at the end of out file shows:
1 F= -.38068741E+02 E0= -.38068099E+02 d E =-.380687E+02
rank 1 in job 1 cu50_41139 caused collective abort of all ranks
exit status of rank 1: killed by signal 9
I use 'mpirun -n 4 vasp >out & '
I have tried puting in the job many times,but no better.So wish someone who knows how to solve it help me!Thanks a lot!
an error for VASP
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bxcute
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- Posts: 4
- Joined: Fri Nov 20, 2009 1:20 am
an error for VASP
Last edited by bxcute on Fri Nov 20, 2009 1:41 am, edited 1 time in total.
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panda
an error for VASP
please provide INCAR file. I think it is a problem in mpi, and not in your calculation itself, but hard to say without seeing INCAR.
Last edited by panda on Sat Nov 21, 2009 11:36 pm, edited 1 time in total.
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bxcute
- Newbie
- Posts: 4
- Joined: Fri Nov 20, 2009 1:20 am
an error for VASP
thank you very much for your help,my INCAR is :
SYSTEM =2-layers
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 = 360
VOSKOWN=1
ISIF=2
NSW=3000
IBRION=1
# IDIPOL=3
# LREAL=.F
SYSTEM =2-layers
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 = 360
VOSKOWN=1
ISIF=2
NSW=3000
IBRION=1
# IDIPOL=3
# LREAL=.F
Last edited by bxcute on Sun Nov 22, 2009 5:53 am, edited 1 time in total.