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pardens close error
Posted: Mon Feb 04, 2008 2:26 pm
by Danny
Code: Select all
"pardens.f90", line 1272: 1525-093 The CLOSE statement cannot be processed because the CLOSE statement is not allowed on unit 0, which is connected to standard error. The program will recover by ignoring the CLOSE statement.
when calculating a partial charge density I got the above error. It is shown for all but one processor(ie if the job runs on 16 CPU's I get 15 messages). Can this be ignored as beeing a coding error where all cpu's try to close the same file, and after the succes of the first one, the others don't have anything to close anymore?
thx
Danny
pardens close error
Posted: Wed Feb 06, 2008 8:50 am
by admin
file 0 is the job.stdout file, this file number should not be addressed to any of the files which are opened and closed by pardens. (please check which file-numbers are given to the parchg files by inserting a write statement to give you iuout after the iuout = NXTFRU() line
pardens close error
Posted: Wed Feb 06, 2008 4:36 pm
by Danny
a look in the code tell's me that value zero is not really excluded
Code: Select all
! before starting the whole stuff: search for a free I/O unit:
io_begin
iuout = NXTFRU()
write(*,*) 'iuout= ',iuout,' !'
[b]IF ((iuout <= -1) .OR. (iuout >= 99) ) THEN[/b] CALL err_handle(io%iu6,1,"PARCHG.nb.nk","NONE","U")
CALL err_handle(io%iu0,1,"PARCHG.nb.nk","NONE","U")
IF (io%lopen) CALL WFORCE(io%iu6)
STOP ! on lack of output: stop execution
END IF
io_end
I've put in the write statement, and am now waiting for the results
Danny
pardens close error
Posted: Wed Feb 06, 2008 7:42 pm
by Danny
The results of the write statement are:
iuout= 2 !
while the error persists.
So could the cause be as I suggested in my first post? The job was run on 16 cpu's and there were 15 of these errors.
Danny
pardens close error
Posted: Tue Feb 12, 2008 1:22 pm
by Danny
up
pardens close error
Posted: Tue Feb 12, 2008 3:14 pm
by admin
if the parcharge file unit is 2, you can ignore the error. The reason of this error certainly is that the STOP statement is in the subroutine which writes the partial charges itself, and that the stdout file is not closed properly before vasp stops..
[ Edited Tue Feb 12 2008, 04:19PM ]
pardens close error
Posted: Wed Feb 13, 2008 5:05 pm
by Danny
ok, thx