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<div class="moz-cite-prefix">Dear Peter,<br>
<br>
This was indeed a bug (hardcoded size). I increased it so
hopefully it should be fine now. If you have a binary version of
Molpro 2015, you should then wait for a next bug-fix update
(approximately once a month). If you have a source code, I can
send you fixed source files, so you will be able to recompile
Molpro.<br>
<br>
Best wishes,<br>
<br>
Alexander<br>
<br>
Le 26/05/2016 11:57, Peter Burger a écrit :<br>
</div>
<blockquote
cite="mid:384dbd1b-987a-67a0-4390-827dc52f8ee7@chemie.uni-hamburg.de"
type="cite">
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<div class="moz-cite-prefix">Hello,<br>
<br>
here are the input & ouptut files.<br>
<br>
Best regards<br>
<br>
Peter<br>
<br>
Am 26.05.2016 um 11:39 schrieb Alexander Mitrushchenkov:<br>
</div>
<blockquote
cite="mid:bf72add9-0312-94c8-3174-7e1a42acaa95@u-pem.fr"
type="cite">Hello, <br>
<br>
Can you please post the whole input, I'll take a look at the
problem? <br>
<br>
Best wishes, <br>
<br>
Alexander <br>
<br>
Le 26/05/2016 à 09:14, Peter Burger a écrit : <br>
<blockquote type="cite">Dear experts, <br>
<br>
I have another question. <br>
<br>
NEVPT2 calculations for a single state of a CAS [13,14] active
space stop with the message <br>
<br>
"arg of npos too large" <br>
<br>
What does this mean - what should/can I do? <br>
<br>
I am using the 2015.1 binary. <br>
<br>
Many thx in advance <br>
<br>
Peter <br>
<br>
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<br>
</blockquote>
<br>
<br>
</blockquote>
<br>
<p><br>
</p>
<pre class="moz-signature" cols="72">--
Univ.-Prof. Dr. Peter Burger
Institut fuer Anorganische und Angewandte Chemie
Universitaet Hamburg
Martin-Luther-King-Platz 6
D-20146 Hamburg
Tel.:+49 040 42838 3662
FAX 6097
email: <a moz-do-not-send="true" class="moz-txt-link-abbreviated" href="mailto:burger@chemie.uni-hamburg.de">burger@chemie.uni-hamburg.de</a>
<a moz-do-not-send="true" class="moz-txt-link-freetext" href="http://www.chemie.uni-hamburg.de/ac/burger/index.html">http://www.chemie.uni-hamburg.de/ac/burger/index.html</a></pre>
</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
Dr. Alexander Mitrushchenkov, IGR
Laboratoire de Modélisation et Simulation Multi Echelle
UMR 8208 CNRS
Université Paris-Est Marne-la-Vallée
5 Bd Descartes
77454 Marne la Vallée, Cedex 2, France
Phone: +33(0)160957316
Fax: +33(0)160957320
e-mail: <a class="moz-txt-link-abbreviated" href="mailto:Alexander.Mitrushchenkov@u-pem.fr">Alexander.Mitrushchenkov@u-pem.fr</a></pre>
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