<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">If I remember right, the largest piece of memory is the vector file so this should be a reasonable estimate.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">During the scf convergence you can reduce this by <b>carefully</b> changing the numbers at the end of case.in1(c). You don't really need to go to 1.5 Ryd above E_F (and similarly reduce nband for ELPA). For DOS etc later you increase these and rerun lapw1 etc.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Jul 26, 2019 at 9:27 AM Luc Fruchter <<a href="mailto:luc.fruchter@u-psud.fr">luc.fruchter@u-psud.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Yes, I have shared memory. Swap on disk is disabled, so the system must <br>
manage differently here.<br>
<br>
I just wonder now: is there a way to estimate the memory needed for the <br>
lapw2s, without running scf up to these ? Is this the total .vector size ?<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>