[Pw_forum] error from IOTK

[Robert Tétot]

Thank you a lot, I try it.
Robert

Le 24/03/2015 22:29, Paolo Giannozzi a écrit :
>
> data-file.xml cannot be read that way. If you want to read data, you 
> have to use or modify the various codes in PP/src/
>
>
> Paolo
>
> ------------------------------------------------------------------------
> *From:* pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on 
> behalf of Robert TETOT <robert.tetot at u-psud.fr>
> *Sent:* Tuesday, March 24, 2015 18:44
> *To:* pw_forum at pwscf.org
> *Subject:* [Pw_forum] error from IOTK
>
> Dear all,
>
> I am a new user of Quantum espresso and I got an error when I want to 
> read the data file with the command:
>
> iotk.x < data-file.xlm
>
> The error message is the following:
>
> ##########################################################
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_delete_attr (iotk_misc.f90:1159)
> # CVS Revision: 1.39
> #########################################################
> *** The MPI_Comm_f2c() function was called before MPI_INIT was invoked.
> *** This is disallowed by the MPI standard.
> *** Your MPI job will now abort.
>
> ==========================
>
> The first 5 lines of the data file are:
>
> =========================
>
> <?xml version="1.0"?>
> <?iotk version="1.2.0"?>
> <?iotk file_version="1.0"?>
> <?iotk binary="F"?>
> <?iotk qe_syntax="F"?>
>
> Can anybody help me ?
>
> Thank you in advance.
>
> Best regards
>
> Robert
>
> ********************
>
> Robert Tétot
>
> ICMMO(SP2M) Univ Paris-Sud Bat 415 Orsay Cedex- France
>
> email: robert.tetot at u-psud.fr
>
> ********************
>
>
>
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-- 
Robert Tétot ******************************************************* 
Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO) UMR 8182 
CNRS-Université Paris-Sud Synthèse, Propiétés et Modélisation des 
Matériaux (SP2M) Université Paris-Sud - Bât 410 - 91405 Orsay Cedex - 
France Tel : 01 69 15 48 22 Fax : 01 69 15 48 19 Mail : 
robert.tetot at u-psud.fr 
*******************************************************
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