[Pw_forum] error from IOTK

[Paolo Giannozzi]

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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