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- [email protected] (preferred),
2- [email protected],
3- [email protected].
--------------------------------------------
On Sat, 11/15/14, Reza Behjatmanesh-Ardakani <[email protected]> wrote:
Subject: error in routine davcio (10) when -npool is used
To: [email protected]
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- [email protected]
(preferred),
2- [email protected],
3- [email protected].
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