<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;"><br><div><div>On 03 Apr 2014, at 17:01, yjunwei2012 <<a href="mailto:yjunwei2012@163.com">yjunwei2012@163.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div marginheight="0" marginwidth="0" style="font-size: 12.1pt; color: rgb(0, 0, 17); font-family: 宋体, serif; font-style: normal; font-variant: 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-stroke-width: 0px; border-width: 0px; margin: 12px; line-height: 1.3;"><stationery><div><font size="3" face="宋体">Dear all user:</font></div><div><font size="3"> When I run a example (ecut.40.in) with openmpi,the run command in terminal as this: mpirun -np 8 pw.x <ecut.40.in> ecuttest.40.out. To my surprise, in the output file, the same information show 8 times, though the cpu is 100%.</font></div><div><font size="3"> I do not know whether the QE5.0.2 have a parallel version, if no, how can I make my QE5.0.2 run parallel jobs? I have installed gcc4.4.7,gcc-c++,gcc-gfortran ,openmpi-1.6.5 and QE5.0.2 on the centos6.5.</font></div><div><font size="3"> Thank you very much!</font></div><div><font size="3"></font> </div><div><font size="3"> JWY</font></div><div> </div><div align="left"><font color="#c0c0c0" size="2" face="Verdana">2014-04-03</font></div><font size="2" face="Verdana"><hr id="SignNameHR" align="left" size="2" style="height: 2px; width: 122px;"></font><div><font color="#c0c0c0" size="2" face="Verdana"><span id="_FlashSignName">yjunwei2012</span></font></div></stationery><span><ecut.40.in></span><span><ecuttest.40.out></span>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></div></blockquote></div><div>Of course, QE ANY.VERSION does run in parallel. However, it seems that the compilation of the parallel executable did fail</div><div>in your case. Indeed, you can read in your output “Serial version”. That could explain the strange 8-times-replicated output,</div><div>due to the fact that you run 8 tasks of the SAME serial executable, rather than split a parallel executable into 8 tasks!!</div><div><br></div><div>You should first verify your installation, e.g. if a parallel environment was detected. At this purpose, check </div><div>espresso-5.0.2/install/config.log</div><div><br></div><div>Giovanni</div><br><div apple-content-edited="true">
-- <br><br>Giovanni Cantele, PhD<br>CNR-SPIN<br>c/o Dipartimento di Fisica<br>Universita' di Napoli "Federico II"<br>Complesso Universitario M. S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it">giovanni.cantele@spin.cnr.it</a><br>Phone: +39 081 676910<br>Skype contact: giocan74<br><br>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009">http://www.researcherid.com/rid/A-1951-2009</a><br>Web page: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a><br>
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