<div dir="ltr">Hi Abraime,<div><br></div><div style> If you are using something like "top" command in a terminal, do not worry about the "Mem: " row. You have to look ate the "%MEM" column.</div>
<div style> All the best,</div><div style> Luis </div></div><div class="gmail_extra"><br><br><div class="gmail_quote">2014-06-23 13:03 GMT-03:00 Brahim ABRAIME <span dir="ltr"><<a href="mailto:b.abraime@gmail.com" target="_blank">b.abraime@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">The memory RAM in use of the machines does not decrease when we kill the processes of Wien2k on the CPU<br>
Ans suggestions please ?</p>
<div class="gmail_quote">Le 17 juin 2014 22:10, "Gavin Abo" <<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>> a écrit :<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><div class="h5">
<div bgcolor="#FFFFFF" text="#000000">
<div><br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div><span style="font-family:arial,sans-serif;font-size:13px">what
about the environment in which we must mention the list of
machines that will run parallel computing?</span></div>
</div>
</blockquote>
<br>
If you are using a single PC, you should be able to use "edit
.machines" in the menu of w2web. See section "5.5.4 The .machines
file" in the Wien2k 13.1 usersguide
[<a href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf" target="_blank">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a>], which
describes the content of the .machines file.<br>
<br>
I also find the University of Texas slides at the following link
useful:<br>
<br>
<a href="https://www.xsede.org/documents/10157/305826/ecss_hliu_051012.pdf" target="_blank">https://www.xsede.org/documents/10157/305826/ecss_hliu_051012.pdf</a><br>
<br>
If you are using a cluster, you should talk to your system
administer(s), because they should know everything about your
cluster system and should be able to help you create the best
configuration for your system (something we know nothing about it).
There is a webpage in FAQ on the Wien2k website that can help with
that:<br>
<br>
<a href="http://www.wien2k.at/reg_user/faq/pbs.html" target="_blank">http://www.wien2k.at/reg_user/faq/pbs.html</a><br>
<br>
<blockquote type="cite">
<div dir="ltr">
<div><span style="font-family:arial,sans-serif;font-size:13px">I
also want to know the parameters for multi threading</span></div>
</div>
</blockquote>
<br>
I think there was some previous discussion on threading. Search the
mail archive at:<br>
<br>
<a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/</a><br>
<br>
For example, try searching with the keyword: OMP_NUM_THREADS<br>
<br>
<br>
</div>
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