Problems running VASP: crashes, internal errors, "wrong" results.
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sailorzh
#1
Post
by sailorzh » Fri Jan 25, 2013 9:31 am
Dear All,
I noticed there is bug reported on vasp 5.3.3:
http://www.vasp.at/index.php/news/bugfi ... -18dec2012
and I see in vasp 5.2 these lines are:
Code: Select all
!?set?KPOINTS%EMAX?and?KPOINTS%EMIN?if?required
??????!?first?call?initialize?LAUTO
??????IF?(ICALLS==0)?THEN
?????????LAUTO=(KPOINTS%EMAX<=KPOINTS%EMIN)
?????????ICALLS=1
??????ENDIF
So I wonder, should I also change these lines? and how about the older version, like vasp 4.6?
Thanks a million.
Best regards,
Wei
Last edited by sailorzh on Fri Jan 25, 2013 9:31 am, edited 1 time in total.
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admin
- Administrator
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#2
Post
by admin » Fri Jan 25, 2013 3:23 pm
This bug appeared in vasp 5.3.3. only. Older versions are OK.
Last edited by
admin on Fri Jan 25, 2013 3:23 pm, edited 1 time in total.
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sailorzh
#3
Post
by sailorzh » Sun Jan 27, 2013 3:58 pm
Thank you very much for your quick reply!
Last edited by sailorzh on Sun Jan 27, 2013 3:58 pm, edited 1 time in total.