[Thermo_pw-forum] Problem in running thermo_pw.x

Barnali Bhattacharya barnalidgbhatt at gmail.com
Tue Dec 15 07:21:38 CET 2015


Dear Sir/Madam



        I am trying to use thermo_pw as a tool of quantum espresso for
elastic constant calculation. I want to run thermo_pw.x in one node of my
machine containing 1 processor with 8 cores.



After entering the node I am trying to run with the following command



"mpirun -np 1 /home/Utpal/apps/espresso/espresso-5.2.1/bin/thermo_pw.x |tee
si.elestic.out





"................................................



 Parallel version (MPI & OpenMP), running on      8 processor cores

     Number of MPI processes:                 1

     Threads/MPI process:                     8

................................................



But the "top" command do not shows any thermo_pw.x running



Again when I am trying to run with the following command





"mpirun -np 6 /home/Utpal/apps/espresso/espresso-5.2.1/bin/thermo_pw.x -ni
2 |tee si.elestic.out



 The program automatically taken 48 processor cores as-



"................................................



 Parallel version (MPI & OpenMP), running on      48 processor cores

     Number of MPI processes:                 6

     Threads/MPI process:                     8

     path-images division:  nimage    =       2

     R & G space division:  proc/nbgrp/npool/nimage =       3

................................................



and the "top" command shows only five thermo_pw.x running



.........................

21122 Utpal     20   0  138m 8948 3736 R 100.0  0.2   5:01.28
hermo_pw.x


21121 Utpal     20   0  138m 7424 3756 R 99.7  0.2   5:01.35
thermo_pw.x


21123 Utpal     20   0  138m 7392 3724 R 99.7  0.2   5:01.19
thermo_pw.x


21124 Utpal     20   0  138m 7428 3760 R 99.7  0.2   5:01.38
thermo_pw.x


21125 Utpal     20   0  138m 7404 3736 R 99.7  0.2   5:01.20 thermo_pw.x

................................



I am totally confused. Furthermore my program remains in the same situation
for three days without any error.



 Could you please guide how can I use only 8 cores for thermo_pw.x run?



Thanking you.



Sincerely

Barnali Bhattacharya

PH.D student

Assam University










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