[Pw_forum] Optimized tetrahedron method El-Ph Calculation Error

Mitsuaki Kawamura mkawamura at issp.u-tokyo.ac.jp
Thu Nov 23 16:21:44 CET 2017


Dear Isaiah

Thank you for reporting, I will check it.
Could you provide your input files?

Best regards,
Mitsuaki Kawamura

--
------------------------------------------------------
Dr. Mitsuaki Kawamura
Software Advancement Team
Supercomputer Section
Materials Design and Characterization Laboratory
The Institute for Solid State Physics, Kashiwa, Japan
e-mail : mkawamura at issp.u-tokyo.ac.jp
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From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Isaiah Moses
Sent: Thursday, November 23, 2017 7:40 PM
To: PWSCF Forum <pw_forum at pwscf.org>
Subject: [Pw_forum] Optimized tetrahedron method El-Ph Calculation Error

Dear all,
I've successfully ran phonon and el-ph calculation for the tetra_example in the qe-6.2 phonon example directory.
I've also ran the calculation for MgB by splitting the job among q-points without any problem.
Running my hexagonal structure is however giving me error.
The phonon calculation for each q-points was done successfully but proceeding to the electron-phonon calculation were stopped at the point below.

I had ensured that wf_collect = .true. was specified in the pw run.

Reading dVscf from file dv
     Reading dynamics matrix from file Hex.dyn3
-------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
I've checked to ensure the same name were used for the prefix, fildyn and fildvscf 
in both phonon and el-ph input files.


Any help in resolving this shall be greatly appreciated.
Isaiah


-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria





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