[QE-users] simple_ip error

Anibal Thiago Bezerra anibal.bezerra at unifal-mg.edu.br
Wed Oct 14 22:17:54 CEST 2020


Dear Quantum Espresso users and developers,

I'm trying to use simple.x and simple_ip.x to retrieve the optical
properties of metallic alloys. The simple.x calculation finished with no
errors (at least no error messages), but the simple_ip.x calculation
freezes after starting the mpi. The output file stops with
-------------------------------
     Program SIMPLE_IP v.6.5 starts on 14Oct2020 at 14:47: 8

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    12 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =   12

 MPI PARALLEL VERSION
 Number of procs:           12
 simple_ip: Version 1.00
-----------------------------

and a crash message from the scheduler rises as

----------------------
At line 47 of file input_simple_ip.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file
srun: error: physics18: task 0: Exited with exit code 2
-------------------------

I've changed the number of processors, used pools, images, and got no
success.
Is the problem related to the instalattion itself?

Thanks a lot!
Best wishes!

Anibal
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