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Thank you a lot, I try it.<br>
Robert<br>
<br>
<div class="moz-cite-prefix">Le 24/03/2015 22:29, Paolo Giannozzi a
écrit :<br>
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<p>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/</p>
<p><br>
</p>
<p>Paolo<br>
</p>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
color="#000000" face="Calibri, sans-serif"><b>From:</b>
<a class="moz-txt-link-abbreviated" href="mailto:pw_forum-bounces@pwscf.org">pw_forum-bounces@pwscf.org</a>
<a class="moz-txt-link-rfc2396E" href="mailto:pw_forum-bounces@pwscf.org"><pw_forum-bounces@pwscf.org></a> on behalf of Robert
TETOT <a class="moz-txt-link-rfc2396E" href="mailto:robert.tetot@u-psud.fr"><robert.tetot@u-psud.fr></a><br>
<b>Sent:</b> Tuesday, March 24, 2015 18:44<br>
<b>To:</b> <a class="moz-txt-link-abbreviated" href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
<b>Subject:</b> [Pw_forum] error from IOTK</font>
<div> </div>
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<p>Dear all,</p>
<p>I am a new user of Quantum espresso and I got an error
when I want to read the data file with the command:</p>
<p>iotk.x < data-file.xlm</p>
<p>The error message is the following:</p>
<p>##########################################################<br>
# FROM IOTK LIBRARY, VERSION 1.2.0<br>
# UNRECOVERABLE ERROR (ierr=1)<br>
# ERROR IN: iotk_delete_attr (iotk_misc.f90:1159)<br>
# CVS Revision: 1.39<br>
#########################################################<br>
*** The MPI_Comm_f2c() function was called before MPI_INIT
was invoked.<br>
*** This is disallowed by the MPI standard.<br>
*** Your MPI job will now abort.</p>
<p>==========================</p>
<p>The first 5 lines of the data file are:</p>
<p>=========================</p>
<p><?xml version="1.0"?><br>
<?iotk version="1.2.0"?><br>
<?iotk file_version="1.0"?><br>
<?iotk binary="F"?><br>
<?iotk qe_syntax="F"?></p>
<p>Can anybody help me ?</p>
<p>Thank you in advance.</p>
<p>Best regards</p>
<p>Robert</p>
<p>********************</p>
<p>Robert Tétot</p>
<p>ICMMO(SP2M) Univ Paris-Sud Bat 415 Orsay Cedex- France</p>
<p>email: <a class="moz-txt-link-abbreviated" href="mailto:robert.tetot@u-psud.fr">robert.tetot@u-psud.fr</a></p>
<p>********************</p>
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<br>
<div class="moz-signature">-- <br>
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 :
<a class="moz-txt-link-abbreviated" href="mailto:robert.tetot@u-psud.fr">robert.tetot@u-psud.fr</a>
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