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:* [email protected] <[email protected]> on
behalf of Robert TETOT <[email protected]>
*Sent:* Tuesday, March 24, 2015 18:44
*To:* [email protected]
*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: [email protected]
********************
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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 :
[email protected]
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