<div dir="ltr">Dear Prof. Blaha,<div><br></div><div style> Thank you very much for your help !</div><div style> All the best,</div><div style> Luis</div><div style><br></div></div><div class="gmail_extra">
<br><br><div class="gmail_quote">2013/6/11 Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
nmat=10000, real case: The H matrix has 10^4 *10^4 elements, one element is stored<br>
in 8 bytes ~ 10^9 bytes = 1 GB.<br>
<br>
We need probably 50 % or so more (for eigenvectors and other arrays).<br>
<br>
Without inversion (complex case), you need twice as much memory.<br>
<br>
PS: more exact values: take a know case and look at a "top" command while lapw1 is running.<br>
<br>
Am 11.06.2013 14:30, schrieb Luis Ogando:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
Dear WIEN2k community,<br>
<br>
Is there any way to estimate (even roughly) the RAM that will be required in a calculation using the "x lapw1 -nmat_only" result (or any other command) ?<br>
Many thanks,<br>
Luis<br>
<br>
<br>
<br></div></div>
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Peter Blaha<br>
Inst. Materials Chemistry, TU Vienna<br>
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