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_...@yahoo.com (preferred), 2- behjatman...@pnu.ac.ir, 3- reza.b....@gmail.com. -------------------------------------------- On Sat, 11/15/14, Reza Behjatmanesh-Ardakani <reza_b_...@yahoo.com> wrote: Subject: error in routine davcio (10) when -npool is used To: pw_forum@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_...@yahoo.com (preferred), 2- behjatman...@pnu.ac.ir, 3- reza.b....@gmail.com. _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum