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Dear Jani,<br>
<br>
If your Molpro job needs a certain amount of memory (eg. 8GB) to run
with 1 core/process, then it will need N*8GB to run with N
cores/processes. <br>
The memory per core/process needed for your job will not be
decreased when you run it in parallel.<br>
<br>
Best wishes,<br>
Manhui<br>
<br>
<div class="moz-cite-prefix">On 24/06/13 10:17, Jani Salo wrote:<br>
</div>
<blockquote
cite="mid:CAJ0P6xSex0U7Z+pQyA8c6=dr3nakKqiidC0MtussviFwbiT=RQ@mail.gmail.com"
type="cite">Dear Manhui, <br>
<br>
Thank you for your answer. <br>
However my question was a little bit different, briefly:<br>
If 1-core task require e.g. 8Gb of memory and my cores have access
to less than 8Gb, can I reduce memory demand per core by
redistribution it over N cores with lesser memory demand? If I
can, what is the recipe?<br>
<br>
Thank you very much.<br>
Best,<br>
Jani.<br>
<br>
<div class="gmail_quote">On Fri, Jun 21, 2013 at 2:12 AM, Manhui
Wang <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:wangm9@cardiff.ac.uk" target="_blank">wangm9@cardiff.ac.uk</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div 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 moz-do-not-send="true"
href="http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html"
target="_blank">http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html</a><br>
<br>
Best wishes,<br>
Manhui
<div>
<div class="h5"><br>
<br>
<br>
<div>On 20/06/13 11:49, Jani Salo wrote:<br>
</div>
</div>
</div>
<blockquote type="cite">
<div>
<div class="h5">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></fieldset>
<br>
</div>
</div>
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<span class="HOEnZb"><font color="#888888"> </font></span></blockquote>
<span class="HOEnZb"><font color="#888888"> <br>
<pre cols="72">--
-----------
Manhui Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
</pre>
</font></span></div>
</blockquote>
</div>
<br>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
-----------
Manhui Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
</pre>
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