<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=""><div class="">Dear quantum espresso friends,</div><div class=""><br class=""></div><div class="">I’m a bit confused. I want to run a geometry optimisation with pw.x in parallel on 4 CPUs.</div><span class="">I want to do k-point parallelization. From <a href="http://training.uhem.itu.edu.tr/docs/18hazirannano/PW-III-para.pdf:" class="">http://training.uhem.itu.edu.tr/docs/18hazirannano/PW-III-para.pdf:</a><br class=""></span><span class=""></span><span class=""></span><span class=""><br class=""></span><span class="">k-points are distributed among npool pools of CPUs</span><div class=""><span class=""><br class=""></span></div><div class=""><span class="">I started the following:</span></div><div class=""><span class=""><br class=""></span></div><span class="">mpirun -np 4 pw.x -npool 4 -inp input file <br class=""><br class="">It seems to work, since I got output. But what is confusing me, is that in the output is stated:</span><div class=""><span class=""><br class=""></span></div><div class=""><span class="">``Serial version``</span></div><div class=""><span class=""><br class=""></span></div><div class=""><span class="">``number of k points= 4``</span></div><div class=""><span class=""><br class=""></span></div><div class=""><span class="">Nothing is noted that the calculations of 4 k-point is </span>distributed among 4 CPUs.</div><div class=""><span class=""><br class=""></span></div><div class=""><span class="">Can someone give me an advice on where to look for confirmation?<br class=""><br class=""><br class=""><br class=""><div class="">Met vriendelijke groeten,<br class="">Mit freundlichen Grüßen,<br class="">With kind regards,<br class=""><br class=""><br class="">Willem Offermans<br class="">Researcher Electrocatalysis SCT<br class="">VITO NV | Boeretang 200 | 2400 Mol<br class="">Phone:+32(0)14335263 Mobile:+32(0)492182073 <br class=""><br class=""><a href="mailto:Willem.Offermans@Vito.be" class="">Willem.Offermans@Vito.be</a><br class=""><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><br class="Apple-interchange-newline" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; text-decoration: none;"><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; text-decoration: none;"><span><img apple-inline="yes" id="7C79566F-644F-4316-8A32-82D44AC93D3D" src="cid:982BA063-B96A-4A1B-89AB-5A01CA9FC70D@vito.local" class=""></span>
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