<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
Dear Jani,<br>
<br>
The setting <br>
memory, 1000, m<br>
is for one core. If you use N cores, the total memory will be
N*1000*1000*1000 Words (ie, N*1000*1000*1000*8 bytes).<br>
<br>
For details, please refer to previous list<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>
Best wishes,<br>
Manhui<br>
<br>
<br>
<div class="moz-cite-prefix">On 20/06/13 11:49, Jani Salo wrote:<br>
</div>
<blockquote
cite="mid:CAJ0P6xREVbvSVGFxqDsvLfeSVSvnW3e4HJSYgLe2c2n70X5zwg@mail.gmail.com"
type="cite">Dear Molpro Users,<br>
<br>
I have specific question about how memory (or shared memory) is
used in the parallel mode. <br>
I want to run an CCSD(T)/aug-cc-pVDZ calculation of uracil dimer
on my small-cluster with 16 cores (with 64 GB of memory)<br>
It seems that such system needs more than 8GB of memory for 1-core
calculation, but it very slow, so when I'm trying to do a parallel
calculation on 2 or 2^N cores<br>
the memory demand is not reduced by that factor. I've changed
"memory, 1000, m" option back and forth, but it was not helpful
either.<br>
(I've used compiled mpp-binary Molpro 2012.1 from the website)<br>
<u>So Is Molpro distribute used memory over processes or copied
the same information? </u><br>
How I can control this behavior? <br>
I've tried to use -G option (even that in manual written that "is
no longer activated") but it was not helpful. I have not found the
answer on this question in manual and other sources.<br>
Can one explain this issue?<br>
<br>
Thank you!<br>
<br>
Best,<br>
Jani.<br>
<br>
<br>
<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>
</body>
</html>