[Pw_forum] problems with pp.x for parallel processing

Natalia Pavlenko natalia at npavlenko.com
Fri Oct 7 18:19:33 CEST 2011


Dear users,

I am trying to calculate charge density plots using pp.x for
8 parallel processors. The scf and nscf calculations are successfully finished. With pp.x, I receive the following warning after the CRASH:
-------------------------
 task #         0
 from local_dos : error #         1
 problems with xk_pool
-------------------------

In my case, the variable npool=2, which is set in the job script file.
In the subroutine local_dos, I have found the following commands:
------------from local_dos---------------------
IF (npool>1) THEN
     CALL xk_pool( kpoint, nkstot, kpoint_pool,  which_pool )
     IF (kpoint_pool<1 .or. kpoint_pool> nks) &
        CALL errore('local_dos','problems with xk_pool',1)
     i_am_the_pool=(my_pool_id==which_pool)
  ELSE
     i_am_the_pool=.true.
     kpoint_pool=kpoint
  ENDIF
------------------
How to set up kpoint_pool in this case? In my structure, the k-points are
automatically defined: K_POINTS automatic

I would be grateful for any advices.

Regards,

Natalia Pavlenko  
-------------------------------
Dr. Natalia Pavlenko
Institute for Condensed Matter Physics,
Lviv, Ukraine

Tel.: +38-0322-707401
Fax: +38-0322-761158



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