<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>Dear Peter and Wien users, </div><div><br></div><div>I suspect there is an incompatibility introduced in lapw1para_lapw. </div><div>In line 491 of this file, it reads </div><div><br></div><div>echo "$loop : `head -1 .machine$p` : $tail : $number_per_job[$p] : $p" >>.processes</div><div><br></div><div>It does correctly generate .processes file on linux clusters. (I tested it on one linux cluster to which I have access. The job was run with k-point parallelization.) </div><div>But it fails to do so on Mac OSX with option -p. </div><div><br></div><div>As such, I suggest we might have to change back to</div><div><br></div><div> echo "$loop : $machine[$p] : $tail : $number_per_job[$p] : $p" >>.processes</div><div><br></div><div>Otherwise, an incorrect .processes will cause the difficulty in running LDA+U </div><div>in the quenched moment setting, when -p option is used on Mac OSX systems. </div><div><br></div><div>But I don't know whether this change back will cause the problem </div><div>when running jobs with MPI fine-grained parallelization.</div><div><br></div><div>Thanks, </div><div><br></div><div>Jian-Xin</div><div><br></div><div><div style="font-size: 12px; ">--</div><div style="font-size: 12px; ">###############################</div><div style="font-size: 12px; ">Jian-Xin Zhu, Ph.D</div><div style="font-size: 12px; ">Theorertical Division, MS B262</div><div style="font-size: 12px; ">Los Alamos National Laboratory</div><div style="font-size: 12px; ">Los Alamos, NM 87545</div><div style="font-size: 12px; ">Phone: (505) 667 2363</div><div style="font-size: 12px; ">Fax: (505) 665 4063</div><div style="font-size: 12px; ">Emai: <a href="mailto:jxzhu@lanl.gov">jxzhu@lanl.gov</a></div><div style="font-size: 12px; ">Email (backup): <a href="mailto:physjxzhu@gmail.com">physjxzhu@gmail.com</a></div><div style="font-size: 12px; ">URL: <a href="http://theory.lanl.gov/">http://theory.lanl.gov</a></div><div style="font-size: 12px; ">###############################</div></div><div><blockquote style="margin-top: 5pt; margin-bottom: 5pt; "><blockquote style="margin-top: 5pt; margin-bottom: 5pt; "><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0.0001pt; margin-left: 0in; font-size: 12pt; font-family: 'Times New Roman', serif; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><font class="Apple-style-span" face="'Times New Roman', serif" size="4"><span class="Apple-style-span" style="font-size: 16px;"><br></span></font></span></font></div></blockquote></blockquote></div></div></body></html>