[Pw_forum] error in routine davcio (10) when -npool is used

Reza Behjatmanesh-Ardakani reza_b_m_a at yahoo.com
Sun Nov 16 12:38:24 CET 2014


Dear friends
The problem was solved. It was related to the k-point definition.
Now, I can use -npool option without any problem.

With the Best Regards

   Reza Behjatmanesh-Ardakani
   Associate Professor of Physical Chemistry
   Address:
   Department of Chemistry,
   School of Science,
   Payame Noor University (PNU),
   Ardakan,
   Yazd,
   Iran.
   E-mails: 
          1- reza_b_m_a at yahoo.com (preferred),
          2- behjatmanesh at pnu.ac.ir, 
          3- reza.b.m.a at gmail.com.

--------------------------------------------
On Sat, 11/15/14, Reza Behjatmanesh-Ardakani <reza_b_m_a at yahoo.com> wrote:

 Subject: error in routine davcio (10) when -npool is used
 To: pw_forum at pwscf.org
 Date: Saturday, November 15, 2014, 2:25 PM
 
 Dear Friends
 I have compiled QE5.1 by mpiifort/icc/ifort 2015 and run one
 test.
 everything is OK for fftw3x_cdft_lp64.a, scalapack, and
 openmp libraries.
 Only for -npool parallelization level, I get error in final
 section of my output.
 
 My command in bash terminal is :
 
 1- export OMP_NUM_THREADS=2
 2- mpirun -np 24 -hosts Astek,client2
 /home/espresso-5.1/bin/pw.x -npool 2 -inp tio2.in >
 tio2.out
 
 With the Best Regards
 
    Reza Behjatmanesh-Ardakani
    Associate Professor of Physical Chemistry
    Address:
    Department of Chemistry,
    School of Science,
    Payame Noor University (PNU),
    Ardakan,
    Yazd,
    Iran.
    E-mails: 
           1- reza_b_m_a at yahoo.com
 (preferred),
           2- behjatmanesh at pnu.ac.ir,
 
           3- reza.b.m.a at gmail.com.




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