[QE-users] pp.x does not seem to finish

[Thanh-Nam Huynh]

Dear Pietro and Marcelo Albuquerque,

I followed your instructions and the job has done greatly. However. there
is something weird in the output file. When I set OMP_NUM_THREADS=64 and ran
mpirun -np 2 ...
in the output, the first lines were printed out twice.
Meanwhile, when I set OMP_NUM_THREADS=1 and ran
mpirun -np 40 ...
every line was printed out 40 times in the output file.
Something like this:
     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     1934.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2017.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2027.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2062.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2062.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2069.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2070.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    50.00 Ry     beta= 0.30
     Davidson diagonalization with overlap

     total cpu time spent up to now is     2089.3 secs

I am not sure whether it affects the calculation time (I think it may), but
it is really annoying. Do you have any idea about this problem and how to
solve it? Thank you very much!
-- 
*Huynh Thanh-Nam*
Department of Materials Science and Engineering, Chungnam National
University
Yuseong-gu, Daejeon 34134, Korea
Tel: (+82) 010 5719 1521
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