I have noticed that after each electronic iteration vasp.5.2.11 dumps complete info on bandstructure. This was not present in 5.2.2 (at least not by default) and right now is causing a lot of problems with extreme disk usage which slows down execution severely when there is a lot of k-points.
Is this intended behavior and is there a way to turn it off or is this a bug?
Thanks.
Excessive disk output in vasp.5.2.11
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tomic
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Excessive disk output in vasp.5.2.11
Last edited by tomic on Wed Feb 16, 2011 2:48 pm, edited 1 time in total.
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admin
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Excessive disk output in vasp.5.2.11
this behavior is NOT the standard behavior of any of the vasp-releases (including vasp.5.2.11). However, in order to avoid this behaviour, it is simplest to replace
IF (((NSTEP==1 .OR. NSTEP==DYN%NSW).AND.INFO%LABORT).OR. &
& (IO%NWRITE>=1 .AND.INFO%LABORT).OR.IO%NWRITE>=2) THEN
by
IF (((NSTEP==1 .OR. NSTEP==DYN%NSW).AND.INFO%LABORT).OR. &
& (IO%NWRITE>=1 .AND.INFO%LABORT).OR.IO%NWRITE>=3) THEN
in electron.F (line 830)
IF (((NSTEP==1 .OR. NSTEP==DYN%NSW).AND.INFO%LABORT).OR. &
& (IO%NWRITE>=1 .AND.INFO%LABORT).OR.IO%NWRITE>=2) THEN
by
IF (((NSTEP==1 .OR. NSTEP==DYN%NSW).AND.INFO%LABORT).OR. &
& (IO%NWRITE>=1 .AND.INFO%LABORT).OR.IO%NWRITE>=3) THEN
in electron.F (line 830)
Last edited by admin on Wed Feb 23, 2011 12:16 pm, edited 1 time in total.