I use parallel calculation When I choose spin orbit in the self consistent calculation it does not work,but spin polarized calculation work without any problem
With spin orbit,it says: "error in parallel LAPWSO" And this is the dayfile: *> stop error* *error: command /export/users/softmgr/wien2k_13/lapwsopara -up lapwso.def failed* *0.2u 0.1s 0:06.59 5.7% 0+0k 1328+1048io 16pf+0w* *** LAPWSO crashed!* *> lapwso -up -p (14:59:40) running LAPWSO in parallel mode* *0.8u 0.4s 12:20.35 0.1% 0+0k 80+1368io 2pf+0w* * ubuntu3 k=12 user=646.573 wallclock=657.44* * ubuntu2 k=12 user=625.837 wallclock=1469.3* * ubuntu1 k=12 user=650.56 wallclock=661.94* * Summary of lapw1para:* * ubuntu3(6) 320.568u 2.421s 5:25.58 99.2% 0+0k 16+247880io 0pf+0w* * ubuntu3(6) 326.005u 2.438s 5:31.86 98.9% 0+0k 7520+248400io 0pf+0w* * ubuntu2(6) 312.346u 3.215s 12:11.90 43.1% 0+0k 16+249160io 0pf+0w* * ubuntu2(6) 313.491u 4.339s 12:17.40 43.1% 0+0k 1840+278960io 9pf+0w* * ubuntu1(6) 322.960u 3.014s 5:27.96 99.3% 0+0k 16+248584io 0pf+0w* * ubuntu1(6) 327.600u 1.931s 5:33.98 98.6% 0+0k 7520+255768io 0pf+0w* *6 number_of_parallel_jobs* *running LAPW1 in parallel mode (using .machines.help)* *-> starting parallel LAPW1 jobs at Ø® ينا 22 14:47:20 WET 2015* *> lapw1 -dn -p (14:47:20) starting parallel lapw1 at Ø® ينا 22 14:47:20 WET 2015* *0.8u 0.4s 11:47.38 0.1% 0+0k 632+1384io 8pf+0w* * ubuntu3 k=12 user=634.516 wallclock=648.84* * ubuntu2 k=12 user=614.464 wallclock=1405.39* * ubuntu1 k=12 user=640.877 wallclock=654.28* * Summary of lapw1para:* * ubuntu3(6) 314.829u 2.519s 5:20.78 98.9% 0+0k 1864+249856io 0pf+0w* * ubuntu3(6) 319.687u 2.459s 5:28.06 98.1% 0+0k 5696+250448io 0pf+0w* * ubuntu2(6) 307.444u 3.537s 11:44.61 44.1% 0+0k 3168+252984io 20pf+0w* * ubuntu2(6) 307.020u 3.027s 11:40.78 44.2% 0+0k 2808+256136io 16pf+0w* * ubuntu1(6) 317.757u 3.124s 5:25.38 98.6% 0+0k 1864+250688io 0pf+0w* * ubuntu1(6) 323.120u 1.893s 5:28.90 98.8% 0+0k 5696+257752io 0pf+0w* *6 number_of_parallel_jobs* *running LAPW1 in parallel mode (using .machines)* *-> starting parallel LAPW1 jobs at Ø® ينا 22 14:35:32 WET 2015* *> lapw1 -up -p (14:35:32) starting parallel lapw1 at Ø® ينا 22 14:35:32 WET 2015* *15.0u 0.2s 0:30.39 50.0% 0+0k 592+15552io 7pf+0w* *running lapw0 in single mode* *-------- .machine0 : processors* *> lapw0 -p (14:35:02) starting parallel lapw0 at Ø® ينا 22 14:35:02 WET 2015* * cycle 1 (Ø® ينا 22 14:35:02 WET 2015) (400/99 to go)* * start (Ø® ينا 22 14:35:02 WET 2015) with lapw0 (400/99 to go)* *using WIEN2k_13.1 (Release 17/6/2013) in /export/users/softmgr/wien2k_13* *on ubuntu2 with PID 26312* *Calculating HoMn2O5-unitcell in /export/users/user1/WIEN2k/tamerd/HoMn2O5-spinorbit/HoMn2O5-unitcell* 2015-01-22 13:09 GMT+00:00 Lyudmila Dobysheva <lyuk...@mail.ru>: > On 22.01.2015 15:24, Brahim ABRAIME wrote: > >> I would like to know how to do parallel execution with spin orbit >> calculation because it does not work for me >> > > You are to describe in details how it does not work. > Without information nobody can help. > > Best wishes > Lyudmila Dobysheva > ------------------------------------------------------------------ > Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. > 426001 Izhevsk, ul.Kirova 132 > RUSSIA > ------------------------------------------------------------------ > Tel.:7(3412) 218988(office), 722529(Fax) > E-mail: l...@ftiudm.ru, lyuk...@mail.ru (office) > lyuk...@gmail.com (home) > Skype: lyuka17 (home), lyuka18 (office) > http://fti.udm.ru/content/view/25/103/lang,english/ > ------------------------------------------------------------------ > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > -- *Cordialement******************************* *B.ABRAIME* *PhD au laboratoire de magnétisme et physique des hautes énergies* *LMPHE* *Faculté des sciences Rabat* *Université Mohamed V* *GSM: (+212) 6 72 48 67 77*******************************
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