No subject
Thu Apr 27 15:26:12 CEST 2006
added the following to track the error but I could not.
write(*,*)'Got ',iunit,fname
after
OPEN (IUNIT,FILE=FNAME,STATUS=STATUS,FORM=FORM,ERR=920)
and
after
920 INFO = 2
added
write(*,*)'Chaos with ',iunit,fname
in the mixer.f file. AND
in scfana.f file, added a field 'IOSTAT=IOTEST' in each of the three
OPEN(7,...) statment and
after
920 INFO = 2
!
! file FNAME couldn't be opened
!
added
write(*,*)'I/O Error code ',IOTEST
I get additional lines in the Co_HCP.outputm:
Got 6 Co_HCP.outputm
Got 7 Co_HCP.inc
Got 10 Co_HCP.clmup_old
Got 60 Co_HCP.clmdn_old
Got 17 Co_HCP.clmvalup
Got 18 Co_HCP.clmscup
Got 19 Co_HCP.clmcorup
Got 20 Co_HCP.struct
Got 21 Co_HCP.scfm
Got 22 Co_HCP.scf
Got 31 Co_HCP.broyd1
Got 32 Co_HCP.broyd2
Got 47 Co_HCP.clmvaldn
Got 48 Co_HCP.clmscdn
Got 49 Co_HCP.clmcordn
Got 51 Co_HCP.clmup
Got 52 Co_HCP.clmdn
Got 11 Co_HCP.clmsum
Got 71 Co_HCP.dmatup
Got 72 Co_HCP.dmatdn
Got 73 Co_HCP.dmatud
Got 74 Co_HCP.dmatup_old
Got 75 Co_HCP.dmatdn_old
Got 76 Co_HCP.dmatud_old
filename of case.inc: Co_HCP.incup
I/O Error code 31
without the above modifications Co_HCP.outputm has only one line
filename of case.inc: Co_HCP.incup
Seems it is trying to read Co_HCP.incup which is not there. The
initialization step produced only
Co_HCP.inc Co_HCP.inc_st
and no incup or incdn.
I want to make sure if there is a bug in the setting of spin-polarized
calculation setting in the latest release or it is compiler error.
Sahu
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