[Pw_forum] failure with npool

Paolo Giannozzi giannozz at democritos.it
Tue Jul 28 16:56:18 CEST 2009


Eduardo Ariel Menendez Proupin wrote:

> Due to the size of the attachements, the message is awaiting for 
> moderation. I am not sure if I can send attachments to the forum :-(.

My advice is to send a URL pointing to a web page. You just need a
place, accessible by a web server, where you can put a file

< cdiaghg : 605.99s CPU ( 1419 calls, 0.427 s avg)

> cdiaghg : 893.34s CPU ( 1593 calls, 0.561 s avg)

here it is: subspace diagonalization. Are you sure that the two
codes were compiled in the same way? and that you are running
under the same conditions? If so, please get the previous version
of Modules/zhpev_drv.f90:
http://qe-forge.org/cgi-bin/cvstrac/q-e/fileview?f=espresso/Modules/zhpev_drv.f90&v=1.4
then 1.3 and 1.2, and please let us know if and when you notice a
difference.  If you get errors related to nonexistent routines
'numroc' and 'indxl2g', just remove the line
      INTEGER     :: numroc, INDXL2G
Some changes that were needed to ensure statibility on weird
machines may have slowed down the general performances. If
you have scalapack, it mighy be interesting to try it.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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