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<p>To make that calculation feasible, it looks like you need a
better computing system like a small cluster and mpi.</p>
<p>If ~8 GB is your total RAM, keep in mind that the Linux operating
might use around 1 GB. Using top [
<a class="moz-txt-link-freetext" href="https://superuser.com/questions/282867/why-does-the-memory-usage-in-top-not-add-up">https://superuser.com/questions/282867/why-does-the-memory-usage-in-top-not-add-up</a>
] or a system monitor [
<a class="moz-txt-link-freetext" href="https://askubuntu.com/questions/29757/what-can-replace-system-monitoring-in-the-top-gnome-panel-in-unity">https://askubuntu.com/questions/29757/what-can-replace-system-monitoring-in-the-top-gnome-panel-in-unity</a>
], you can check for any unnecessary processes and kill them to
try to gain back more "free" memory. Though, while this might
help a little with memory, it likely won't help with the speed
issue.</p>
<p>For speed, you likely need mpi or iterative diagonalization. Are
using iterative diagonalization (runsp -it) as was mentioned
before:<br>
</p>
<p><a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2017-November/027303.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2017-November/027303.html</a></p>
<p>If none of that helps, it looks like your stuck with doing less
accurate calculations using small RKmax values.<br>
</p>
<div class="moz-cite-prefix">On 11/6/2017 9:24 AM, chin Sabsu wrote:<br>
</div>
<blockquote type="cite"
cite="mid:700880067.4070371.1509985486324@mail.yahoo.com">
<div style="color:#000; background-color:#fff; font-family:標楷體,
dfkai-sb;font-size:16px">
<div id="yui_3_16_0_ym19_1_1509984644275_3836">Thank you Sir,</div>
<div id="yui_3_16_0_ym19_1_1509984644275_3665"><br>
</div>
<div id="yui_3_16_0_ym19_1_1509984644275_3666"><br>
</div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3698">As per
memory test, I got the figure: 46743 it means ~4.5 GB RAM is
enough to run the case. But my system is having ~8 GB RAM:</div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3975"> <br>
</div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3939">7.6 GiB<br>
</div>
<div id="yui_3_16_0_ym19_1_1509984644275_3664" dir="ltr"><span
id="yui_3_16_0_ym19_1_1509984644275_3925">Intel® Core™
i5-3570K CPU @ 3.40GHz × 4 <br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3912"><span
id="yui_3_16_0_ym19_1_1509984644275_4038">Intel® Ivybridge
Desktop <br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3977"><span><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4039"><span><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4046"><span
id="yui_3_16_0_ym19_1_1509984644275_4049">Dear </span><span
id="yui_3_16_0_ym19_1_1509984644275_4050">Lyudmila Dobysheva</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4990"><span
id="yui_3_16_0_ym19_1_1509984644275_4050"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4114"><span
id="yui_3_16_0_ym19_1_1509984644275_4115">I increase </span>NMATMAX
upto45000 and NUME at 10000. At this value, it gave me lapw1
error while at <span
id="yui_3_16_0_ym19_1_1509984644275_4365"></span>NMATMAX
(NUME)=35000(8000) it taking too much time and even after
three hrs lapw1 is running.<br>
</div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_3978"><span
id="yui_3_16_0_ym19_1_1509984644275_4093"></span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4103"><span><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4109"><span
id="yui_3_16_0_ym19_1_1509984644275_4508">I want to keep
consistent RKMAX with the literature. Otherwise, my job is
to calculate the thermodynamic stability and for the same, I
need the cohessive energy of O also.</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4918"><span
id="yui_3_16_0_ym19_1_1509984644275_4508"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4774"><span
id="yui_3_16_0_ym19_1_1509984644275_4508"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4917"><span
id="yui_3_16_0_ym19_1_1509984644275_4508"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4916"><span
id="yui_3_16_0_ym19_1_1509984644275_4508">Can I use RKmax
6.0 for O2 and for others I am tacking 7. If not then what
should I do to run this O2 system?</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4913"><span
id="yui_3_16_0_ym19_1_1509984644275_4508"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4914"><span
id="yui_3_16_0_ym19_1_1509984644275_4508"><br>
</span></div>
<div dir="ltr" id="yui_3_16_0_ym19_1_1509984644275_4915"><span
id="yui_3_16_0_ym19_1_1509984644275_4508">Chin<br>
</span></div>
</div>
</blockquote>
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