outcar interpretation-normal termination?
Posted: Mon Sep 08, 2008 2:27 pm
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
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