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Dear Professor Paulatto,<br>
<br>
Thank you for your reply but this is to the case.<br>
<br>
When I execute the pp.x (or band calculation) with <b>ifort</b> <b>10.1</b>
<font color="#003300"><u>on several nodes</u></font> it says <br>
<blockquote><i><font color="#ff0000">pp.x: error while loading
shared libraries: libmpi.so.3.2: cannot open shared object
file: No such file or directory</font></i><br>
</blockquote>
whereas <i>ldd pp.x</i> gives<br>
<blockquote><i><font color="#000066">libmpi.so.3.2 =>
/opt/intel/impi/3.1/lib64/libmpi.so.3.2 (0x00002ba86f2c6000)</font></i><br>
</blockquote>
But when I run it on the head node only I get<br>
<blockquote> <i><font color="#ff0000">from postproc : error
# 1<br>
reading inputpp namelist</font></i><br>
</blockquote>
and<br>
<blockquote> <font color="#ff0000"><i>from read_rho_xml : error
# 1<br>
cannot open
./SCF/vc-relax_tetragonal.save/charge-density.dat file for
reading</i></font><br>
</blockquote>
<br>
For some reasons the contents of SCF directory is not accessible, I
do a chmod -R ugo+xwr ./SCF.<br>
This is differently with this machine since it works well on my
desktop (with gfortran 4.4.4). <br>
I'll figure out.<br>
Thank you,<br>
<br>
Éric.<br>
<br>
On 10/12/2011 12:05 PM, Lorenzo Paulatto wrote:
<blockquote cite="mid:op.v28xnqa3xuur8c@vanoxite.impmc.jussieu.fr"
type="cite">
<pre wrap="">On Wed, 12 Oct 2011 17:43:44 +0200, Éric Germaneau <a class="moz-txt-link-rfc2396E" href="mailto:germaneau@gucas.ac.cn"><germaneau@gucas.ac.cn></a>
wrote:
</pre>
<blockquote type="cite">
<pre wrap="">I recently got the error bellow when running band calculation
(calculation = 'band' and pw.x) :
/# FROM IOTK LIBRARY, VERSION 1.2.0
</pre>
</blockquote>
<pre wrap="">
This error can also be caused by a band calculation when
restart_mode='restart'; see the bug tracker for details
(<a class="moz-txt-link-freetext" href="http://qe-forge.org/tracker/?atid=133&group_id=10&func=browse">http://qe-forge.org/tracker/?atid=133&group_id=10&func=browse</a>).
If this is your case, the simpler solution is to remove restart_mode from
the band calculation input
bests
</pre>
</blockquote>
<br>
<div class="moz-signature">-- <br>
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<em>
Be the change you wish to see in the world<br>
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<small>
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<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>
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