hi everybody,
i am running vasp on drug molecules. I am not sure that it is getting terminated normally. i ran the job for nsw 1000, it got over in 7 hours giving message at the end as
"search vector abs. value= 0.208E+02
reached required accuracy - stopping structural energy minimisation
writing wavefunctions"
and outcar file as
Minor page faults: 116987414
Major page faults: 0
Voluntary context switches: 2
"OUTCAR" 37454L, 1642839C
then i ran job for 10,000 steps it also got over in 7 hours giving the message at the end
""search vector abs. value= 0.208E+02
reached required accuracy - stopping structural energy minimisation
writing wavefunctions"
and outcar file as
" Minor page faults: 116990763
Major page faults: 5
Voluntary context switches: 12
Is my job getting completed properly or not?
please help me out
outcar interpretation-normal termination?
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outcar interpretation-normal termination?
Last edited by gaurav on Mon Sep 08, 2008 2:27 pm, edited 1 time in total.
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outcar interpretation-normal termination?
obviously your job converges in (less than) 1000 steps.
the botton of OUTCAR gives the job statistics (memory usage, swaps,...)
the botton of OUTCAR gives the job statistics (memory usage, swaps,...)
Last edited by admin on Tue Sep 09, 2008 1:51 pm, edited 1 time in total.