<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Manhui, thanks for your answer.<div>Are you sure then that it is not a bug?</div><div>The reason that I am asking is because I see the same error here:</div><div><br></div><div><a href="http://listarc.com/showthread.php?5047277-How+to+compute+MP2+natural+orbitals%3F">http://listarc.com/showthread.php?5047277-How+to+compute+MP2+natural+orbitals%3F</a></div><div><br></div><div>thanks, <br><div>
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>Marcela </div></div>
</div>
<br><div><div>On Oct 8, 2013, at 5:12 AM, Manhui Wang wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">
<meta content="text/html; charset=ISO-8859-1" http-equiv="Content-Type">
<div bgcolor="#FFFFFF" text="#000000">
Dear Marcela,<br>
<br>
There are two ways to specify Molpro memory:<br>
<br>
(1) command line flag -m <br>
<a class="moz-txt-link-freetext" href="http://www.molpro.net/info/2012.1/doc/manual/node31.html">http://www.molpro.net/info/2012.1/doc/manual/node31.html</a><br>
<br>
(2) memory card in Molpro input file<br>
<a class="moz-txt-link-freetext" href="http://www.molpro.net/info/2012.1/doc/manual/node56.html">http://www.molpro.net/info/2012.1/doc/manual/node56.html</a><br>
eg.<br>
memory, 100, m<br>
<br>
<br>
If neither is specified, then Molpro will use the
default memory size (8000000 words).<br>
<br>
One can check how much memory is used by looking at<br>
<br>
Variable memory set to *** words<br>
<br>
in Molpro output.<br>
<br>
Here is the summary about the memory settings:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html">http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html</a><br>
<br>
<br>
Best wishes,<br>
Manhui<br>
<br>
<div class="moz-cite-prefix">On 07/10/13 22:02, Marcela Madrid
wrote:<br>
</div>
<blockquote cite="mid:06190534-38F5-4C4F-8733-0A1819FC6FBC@psc.edu" type="cite">hi,
<div><br>
<div>we are getting the following error when running
MOLPRO.2012.1</div>
<div>on an <span class="Apple-style-span" style="color: rgb(51,
51, 51); line-height: 18px; "><a moz-do-not-send="true" href="http://www.sgi.com/products/servers/altix/uv/specs.html" style="color: rgb(51, 51, 51); text-decoration: underline;
">SGI UV 1000</a></span><span class="Apple-style-span" style="color: rgb(51, 51, 51); line-height: 18px; "><a moz-do-not-send="true" href="http://en.wikipedia.org/wiki/Non-Uniform_Memory_Access" style="color: rgb(51, 51, 51); text-decoration: underline;
">cc-NUMA</a></span><span class="Apple-style-span" style="color: rgb(51, 51, 51); line-height: 18px; "> shared-memory
system comprising 256 blades:</span></div>
<div><br>
</div>
<div>
<div>insufficient memory available - require
28426707 have </div>
<div> 7921369</div>
<div> the request was for real words</div>
<div><br>
</div>
<div>I would like to double-check if this is a bug that
requires downloading another version of molpro.</div>
<div>Also, we run without specifying the memory flag. Is there
a way to know the default memory that molpro allocates?</div>
<div><br>
</div>
<div>thank you very much, Marcela</div>
<div><br>
</div>
<div><br class="Apple-interchange-newline">
</div>
<br>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Molpro-user mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</a>
<a class="moz-txt-link-freetext" href="http://www.molpro.net/mailman/listinfo/molpro-user">http://www.molpro.net/mailman/listinfo/molpro-user</a></pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
-----------
Manhui Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
</pre>
</div>
</blockquote></div><br></div></body></html>