<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear all,<div class=""><br class=""></div><div class="">I am optimizing an orthorhombic structure with optimize_abc (wien2k_21). As the structure is big I suspect the job will not finish before the queue reaches the CPU time limit of 24 hours.</div><div class=""><br class=""></div><div class="">The command I use is:</div><div class="">optimize_abc_lapw -t 3 -p -j "run_lapw -p -ec 0.0001 -cc 0.001 -fc 1.0 -min"</div><div class=""><br class=""></div><div class="">Can I continue the run properly with optimize_abc_lapw when the queue will stop the job, for instance with the command:</div><div class="">optimize_abc_lapw -t 3 -p -j "run_lapw -p -ec 0.0001 -cc 0.001 -fc 1.0 -min" ?</div><div class=""><br class=""></div><div class="">If not, is there a way?</div><div class=""><br class=""></div><div class="">Thank you for your hints,</div><div class="">Best regards</div><div class="">Pascal</div><div class=""><br class=""></div><div class=""><br class=""><div class="">
<div class=""><font face="Brush Script MT" size="4" class="">Pascal Boulet</font></div><div class=""><span style="font-size: 21px; font-family: "Lucida Handwriting";" class="">—</span></div><div class=""><em class="" style="color: rgb(34, 187, 234); font-family: verdana; font-size: 11px; line-height: 22px;">Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY</em></div><div class=""><div class="" style="font-family: Tahoma, Verdana, Arial, Helvetica, sans-serif; font-size: 15px; line-height: 22px;"><span class="" style="font-size: 11px; font-family: verdana;">University of Aix-Marseille </span><span class="" style="font-size: 11px; font-family: verdana;">- Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE</span></div><div class="" style="font-family: Tahoma, Verdana, Arial, Helvetica, sans-serif; font-size: 15px; line-height: 22px;"><span class="" style="font-size: 11px; font-family: verdana;">Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50</span></div><div class=""><font face="verdana" class=""><span class="" style="line-height: 22px;">Email : </span></font><font color="#22bbea" face="verdana" class=""><span style="line-height: 20px;" class=""><a href="mailto:pascal.boulet@univ-amu.fr" class="">pascal.boulet@univ-amu.fr</a></span></font></div><div class=""><font color="#22bbea" face="verdana" class=""><br class=""></font></div></div><br class="Apple-interchange-newline">
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