[Pw_forum] PW 2.0 - problems with parallelization

Nicolas Mounet mounet at MIT.EDU
Thu Mar 18 04:42:38 CET 2004


Thank you very much for the tip. My problem is apparently solved, if I 
use the 8th March release.

Actually, after several tests it appears that releases from Feb 19th to 
March 8th (included) work fine, while releases after that date don't. 
Releases from March 9th to March 15th give in fact another kind of error 
even in simple scf calculations (same input as in my first mail):

[...]
  iteration #  1     ecut=    20.00 ryd     beta=0.70
      Conjugate-gradient style diagonalization
      ethr =  1.00E-02,  avg # of iterations =  3.0

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from diropn : error #        99
      error opening       p¼
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      stopping ...


The release of March 16th gives the errors and strange behavior I 
described in my first mail yesterday (I did not test release of today, 
March 17th).

Reading the Changelog file makes me think that the changes in the 
references to mpif.h could be responsible of that (since it seems that 
problems related to this library are known to lead to such "hangings").


Thanks again for your help !

Nicolas




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