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respected prof. Blaha,<BR>i am facing problems in parallel execution, i sent an email to wien mailing list (which i recieve emails all the time) but it gives this error.<BR>please designate my email address as permitted sender host (SPF) as the error says.<BR> <BR>Also i will be very grateful for guiding me about my parallel job crashing . . . .<BR> <BR>Regards,<BR> <BR>Arshad Farhan<BR><br> <BR><div><div id="SkyDrivePlaceholder"></div>From: postmaster@postech.ac.kr<br>To: arshadfarhan@hotmail.com<br>Subject: [NDR] Delivery Failure Notice : [Wien] parallel LAPW2 crash<br>Date: Wed, 6 Jun 2012 12:16:32 +0900<br><br><pre> <br>Your message cannot be delivered to the following recipients: <br> <br>Recipient :ysj@gsnu.ac.kr <br>Reason:550 Your E-Mail Address does not designate Permitted Sender Hosts(SPF) <br> <br></pre><br><br>--Forwarded Message Attachment--<br>From: arshadfarhan@hotmail.com<br>To: wien@zeus.theochem.tuwien.ac.at<br>Date: Wed, 6 Jun 2012 12:25:56 +0900<br>Subject: [Wien] parallel LAPW2 crash<br><br>
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Dear Wien user, <br>i'm trying to minimize the internal positions by:<font size="3" face="Courier New"><strong> </strong></font><font style="font-size: 8pt;" size="3" face="Courier New"><font style="font-size: 10pt;" size="2"><strong>min -p -sp -j "runsp_lapw -I -i 80 -fc 1. -p "</strong></font><font face="Tahoma"><strong> </strong></font></font><br><font style="font-size: 8pt;" size="3" face="Courier New"><strong><font face="Tahoma"></font></strong></font> <br><font style="font-size: 8pt;" face="Courier New"><font style="font-size: 10pt;" size="2" face="Tahoma">the parallel settings are:</font></font><br><font style="font-size: 8pt;" size="3" face="Courier New"><strong><font face="Tahoma"></font></strong></font> <br><font style="font-size: 8pt;" size="3" face="Courier New"> MPICH_HOME=/opt/mpi/gcc/mpich-1.2.7p1<br> MPICH_EXEC=$MPICH_HOME/bin/mpirun<br><br><br></font>and my parallel job crashes every time with the error:<br> <br><font style="font-size: 8pt;" size="1" face="Courier New">forrtl: No such file or directory<br>forrtl: severe (29): file not found, unit 21, file /home/mafarhan/WIEN2k/case2/case2.scf2up_2<br>Image PC Routine Line Source<br>sumpara 00000000004A4D9D Unknown Unknown Unknown<br>sumpara 00000000004A38A5 Unknown Unknown Unknown<br>sumpara 0000000000453E69 Unknown Unknown Unknown<br>sumpara 000000000041890F Unknown Unknown Unknown<br>sumpara 0000000000418142 Unknown Unknown Unknown<br>sumpara 0000000000421BDD Unknown Unknown Unknown<br>sumpara 000000000041203F Unknown Unknown Unknown<br>sumpara 000000000040CCB5 Unknown Unknown Unknown<br>sumpara 00000000004030BA Unknown Unknown Unknown<br>libc.so.6 000000376C21D994 Unknown Unknown Unknown<br>sumpara 0000000000402FD9 Unknown Unknown Unknown<br>cp: cannot stat `.in.tmp': No such file or directory<br>rm: cannot remove `.in.tmp': No such file or directory<br>rm: cannot remove `.in.tmp1': No such file or directory<br></font><br><strong>however, the scf cycle finishes without any error when executed without parallel tag</strong><br> <br>please help me, <br> <br>Regards,<br>M. Arshad Farhan<br> </div>
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