<div dir="ltr">Hi,<div>This is the message found in the std.out file </div><div><br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr">The job 11236734 is running on nid0[1035-1038]<br>cleaning /lustre/project/k1361/Projects_Paresh/.New_projects<br>in cycle 2 ETEST: .3777251600000000 CTEST: .038764<br><br>> stop error<br></div><div dir="ltr"><br></div><div>Paresh</div><div dir="ltr"><br><div>Paresh Chandra Rout</div><div>Postdoctoral Researcher</div><div>King Abdullah University of Science and Technology (KAUST)<br></div><div><div>Thuwal 23955-6900</div><div>Kingdom of Saudi Arabia<br></div><div>Mobile: +966 565671754</div><div>Email address: <a href="mailto:paresh.rout@kaust.edu.sa" target="_blank">paresh.rout@kaust.edu.sa</a></div></div><div>3231-WS13<br></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Oct 3, 2019 at 2:16 PM Paresh Rout <<a href="mailto:paresh.rout@kaust.edu.sa">paresh.rout@kaust.edu.sa</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Prof. Marks:<div><br></div><div>Thank you for your reply. Unfortunately, I did not receive your email but found your reply in wien archive.</div><div><br></div><div>After doing cat *error. I found the following error message</div><div> 'LAPW2' - can't open unit: 30 <br> 'LAPW2' - filename: Lu2NiIrO6.energysoup_21 <br>** testerror: Error in Parallel LAPW2<br></div><div>----------------------------------------------------------------</div><div>and found that the file <b>Lu2NiIrO6.energysoup_21</b> does not exist in the working directory. I followed the procedure i.e first ran GGA+U calculation which successfully ended and then initialized the SOC interactively (initso_lapw). Please find case.day file</div><div>attached below. Kindly let me know if anything needs to be done.</div><div><br></div><div><br></div><div>Best regards,</div><div>Paresh</div><div><br></div><div><div><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br><div>Paresh Chandra Rout</div><div>Postdoctoral Researcher</div><div>King Abdullah University of Science and Technology (KAUST)<br></div><div><div>Thuwal 23955-6900</div><div>Kingdom of Saudi Arabia<br></div><div>Mobile: +966 565671754</div><div>Email address: <a href="mailto:paresh.rout@kaust.edu.sa" target="_blank">paresh.rout@kaust.edu.sa</a></div></div><div>3231-WS13<br></div></div></div></div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout <<a href="mailto:paresh.rout@kaust.edu.sa" target="_blank">paresh.rout@kaust.edu.sa</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div><br></div><div>Dear all,</div><div>I am doing SOC calculation in wien2k_17. I am getting some error in between SCF calculation (around 9th or 10th cycle) as below. </div><div><br></div>> lapw2 -up -p -c -so (13:21:14) running LAPW2 in parallel mode<br>** LAPW2 crashed!<br>0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w<br>error: command /sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara -up -c -so uplapw2.def failed<br><br>> stop error<div><br><div><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div> Could you please help me out with this? </div><div><br></div><div>Best regards,</div><div>Paresh</div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br><div>Paresh Chandra Rout</div><div>Postdoctoral Researcher</div><div>King Abdullah University of Science and Technology (KAUST)<br></div><div><div>Thuwal 23955-6900</div><div>Kingdom of Saudi Arabia<br></div><div>Mobile: +966 565671754</div><div>Email address: <a href="mailto:paresh.rout@kaust.edu.sa" target="_blank">paresh.rout@kaust.edu.sa</a></div></div><div>3231-WS13<br></div></div></div></div></div></div></div></div></div>
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