[QE-users] mos2.dyn2honon dispersion using the 'image' method

[Elio Physics]

Dear professor Paulo,

Thank you for your help. The version is 6.7Max. The 'exact' error I am getting in the error file is :

At line 965 of file xmltools.f90
Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[38785,1],0]
  Exit code:    2"

I have read that in the 6.8 version, a problem related to the XML code has been fixed:

"In some cases the new xml code of v.6.7 wrote UPF files that could not be read because they contained too long lines (noticed by Felix Goudreault, U. Montreal"

Could that be the problem?

>>>>>this might point to  a problem, but I am quite sure that something  similar has been recently fixed. Please try the development version.

I will .. Thank you

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.giannozzi at gmail.com>
Sent: Thursday, September 2, 2021 6:33 AM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] mos2.dyn2honon dispersion using the 'image' method

With no information on the code version and on the input, hard to say.

read_file_new: Wavefunctions not in collected format?!?
     read_file: Wavefunctions in collected format not available

this should not be a problem

 end of file reached, closing tag not found
warning: file closed at level 1 with tag Root open
 end of file reached, tag Root not found

this might point to  a problem, but I am quite sure that something  similar has been recently fixed. Please try the development version.

Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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