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Dear Professor Giannozzi,<br>
<br>
thank you for your suggestion.<br>
First using "-in" does not help, secondly I'm sure of my input since
it works fine on my desktop.<br>
Now I get this message<br>
<blockquote><i><font color="#ff0000">FROM IOTK LIBRARY, VERSION
1.2.0<br>
UNRECOVERABLE ERROR (ierr=1)<br>
ERROR IN: iotk_scan_end (iotk_scan.f90:241)<br>
CVS Revision: 1.23 <br>
foundl<br>
ERROR IN: iotk_close_read (iotk_files.f90:746)<br>
CVS Revision: 1.20 </font></i><br>
</blockquote>
What does that means?<br>
That happen only on this machine. I can run without in problem a scf
calculation but for a band calculation for instance I get the error
above. I use gfortran, woth ifort it's even scf calculation fails.<br>
That's too bad I can not use this machine.<br>
<br>
Thank you,<br>
<br>
Éric.<br>
<br>
On 10/14/2011 08:21 AM, Paolo Giannozzi wrote:
<blockquote
cite="mid:1318594863.7854.19.camel@fe12lx.fisica.uniud.it"
type="cite">
<pre wrap="">On Thu, 2011-10-13 at 12:05 -0400, Éric Germaneau wrote:
</pre>
<blockquote type="cite">
<pre wrap="">When I execute the pp.x (or band calculation) with ifort 10.1 on
several nodes it says
pp.x: error while loading shared libraries: libmpi.so.3.2:
cannot open shared object file: No such file or directory
</pre>
</blockquote>
<pre wrap="">
<a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/user_guide/node52.html#SECTION000121010000000000000">http://www.quantum-espresso.org/user_guide/node52.html#SECTION000121010000000000000</a>
</pre>
<blockquote type="cite">
<pre wrap=""> But when I run it on the head node only I get
from postproc : error # 1
reading inputpp namelist
</pre>
</blockquote>
<pre wrap="">
either there is an error in namelist inputpp, or the code doesn't read
it, for reasons explained in in the above link at point 11.1.0.3,
or here: <a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/user_guide/node19.html">http://www.quantum-espresso.org/user_guide/node19.html</a>
</pre>
<blockquote type="cite">
<pre wrap=""> from read_rho_xml : error # 1
cannot
open ./SCF/vc-relax_tetragonal.save/charge-density.dat file
for reading
</pre>
</blockquote>
<pre wrap="">
the file it is not there
P.
</pre>
</blockquote>
<br>
<div class="moz-signature">-- <br>
<center>
<font color="#946e8c">
<em>
Be the change you wish to see in the world<br>
</em>
<small>
<font color="#946e8c">
— Mahatma Gandhi —<br>
</font></small>
<br>
<a
href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.
Éric Germaneau</a><br>
<br>
Graduate University of Chinese Academy of Sciences<br>
College of Physical Sciences<br>
Yuquan Road 19A<br>
Beijing 100049<br>
China<br>
<br>
<small>
<em>
<font style="color: #498848" face="Times">
Please, if possible, don't send me MS Word or PowerPoint
attachments<br>
Why? See: <a
href="http://www.gnu.org/philosophy/no-word-attachments.html"
style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
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