[Pw_forum] PW taskgroups and a large run on a BG/P

[David Farrell]

>> - ndiag > 1 doesn't work in any case is pointing toward the idea  
>> that the parallel orthogonalization isn't working.
>
> last time I tried on a BG, it was working (after I fixed a problem,
> which was on the BG side, not on Q-E side). Please provide a test
> job (the smaller you have, of course)

I was just looking through the code and the errors I got, and noticed  
in ptoolkit.f90 several places where there appears a variable INFO and  
info - in the 'problems with cholesky' errors, the loops that execute  
them seem to have these mixed to my eyes. For example:

  IF( ( myrow == ( jb - 1 ) ) .AND. ( mycol == ( jb - 1 ) ) ) THEN
          CALL DPOTRF( 'L', jnr, sll, ldx, INFO )
          IF( info /= 0 ) &
             CALL errore( " pdpotf ", " problems computing cholesky  
decomposition ", ABS( info ) )
       END IF


Now, I am not too familiar with fortran - but I would suspect this  
could cause some issues with this depending on compiler options. Also,  
there is a declaration for both INFO and info in the file.

I am trying to change these to be consistent, to see if it makes a  
difference.

Dave



David E. Farrell
Post-Doctoral Fellow
Department of Materials Science and Engineering
Northwestern University
email: d-farrell2 at northwestern.edu

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