Dear wien users, thank for your attention, based on your advise I checked “STDOUT“ and “parallel” files . Below is the details .
*STDOUT* . . . STOP LAPW1 END real 0m5.669s user 0m16.792s sys 0m0.992s STOP LAPW2 - FERMI; weighs written STOP STOP LAPW2 END LAPW2 END STOP LAPW2 END STOP LAPW2 END real 0m1.812s user 0m2.188s sys 0m0.432s STOP LAPW2 END STOP LAPW2 END STOP LAPW2 END STOP LAPW2 END real 0m1.782s user 0m2.164s sys 0m0.448s At line 332 of file sumpara.f (unit = 10, file = 'LaXX.dmatup_1') Fortran runtime error: Bad integer for item 1 in list input cp: cannot stat ‘.in.tmp’: No such file or directory >; stop error *:parallel * . . starting parallel lapw1 at Sat Jan 2 12:24:24 IRST 2016 vHost3 vHost3 vHost3 vHost3(4) vHost4 vHost4 vHost4 vHost4(4) Summary of lapw1para: vHost3 k=0 user=0 wallclock=240 vHost4 k=0 user=0 wallclock=240 <;- done at Sat Jan 2 12:24:36 IRST 2016 ----------------------------------------------------------------- starting parallel lapw1 at Sat Jan 2 12:24:38 IRST 2016 vHost3 vHost3 vHost3 vHost3(4) vHost4 vHost4 vHost4 vHost4(4) Summary of lapw1para: vHost3 k=0 user=0 wallclock=240 vHost4 k=0 user=0 wallclock=240 <;- done at Sat Jan 2 12:24:50 IRST 2016 ----------------------------------------------------------------- ->; starting Fermi on wien2kServer at Sat Jan 2 12:24:54 IRST 2016 ->; starting parallel lapw2 at Sat Jan 2 12:24:54 IRST 2016 vHost3 vHost4 Summary of lapw2para: vHost3 user=0 wallclock=0 vHost4 user=0 wallclock=0 <;- done at Sat Jan 2 12:24:58 IRST 2016 ->; starting sumpara 2 on wien2kServer at Sat Jan 2 12:24:59 IRST 2016 ** LAPW2 crashed at Sat Jan 2 12:25:00 IRST 2016 ** check ERROR FILES! I will be glad to know your suggestion thanks H. Jamnejad *Gavin Abo* gsabo at crimson.ua.edu <wien%40zeus.theochem.tuwien.ac.at?Subject=Re%3A%20%5BWien%5D%20Error%20in%20lapw2%20running%20in%20the%20LDA%2BU%20calculation%20in%0A%20parallel%20mode&In-Reply-To=%3C568708A7.8010405%40crimson.ua.edu%3E> *Sat Jan 2 00:15:51 CET 2016* Since the crash happens in lapw2, in the lapw2para_lapw script file, it looks like messages might be written to the .time2_*, .stdout2_*, or :*parallel files depending on the settings in your parallel_options and *.machines file. So you could try checking for error messages in these files with something like: cat .time2_* cat .stdout2_* cat :parallel You might also have to run the last command given in the :log file by itself or look into the input/output files for the program (refer to 'Table 4.3: Input and output files of main programs in an SCF cycle' in the WIEN2k usersguide) that crashed to determine the cause of the error [ http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011904.html ]. Based on reports of the "Error in SUMPARA" before [ http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-June/009291.html , https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05637.html ], it might happen if a case.scf2* file cannot be found. ---------- Forwarded message ---------- From: hassan jamnejad <hassan.jamne...@gmail.com> Date: Fri, Jan 1, 2016 at 11:44 PM Subject: Error in lapw2 running in the LDA+U calculation in parallel mode To: wien@zeus.theochem.tuwien.ac.at Dear Prof. Peter Blaha, I want to do a LDA+U calculation for a compound, First I ran SCF calculation using 4 x 8 (= 32 processors) in my cluster . But the job terminates with the following errors in dayfile: *** LAPW2 crashed!* *1.6u 3.1s 0:07.72 61.7% 0+0k 0+1776io 0pf+0w* *error: command /home/pars/wien2k/13.1/lapw2para -up uplapw2.def failed* in Lapw2.error file: *** testerror: Error in Parallel LAPW2* in upsumpara.error file: *Error in SUMPARA * in the same time if I run LDA+U calculation in serial mode the SCF calculation was run successfully. Also when I just run LDA calculation in parallel mode the SCF calculation was run successfully too. This means neither LDA+U calculation nor parallel calculation have problem. Meanwhile I searched in the mail list. I found some similar errors, but I could not find my answer. Please suggest me how to rectify above errors? Thanks in advance Regards H. Jamnejad
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