Not to forget: where is the structure coming from ? Ciao Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Physics Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: Wien [[email protected]] im Auftrag von Lyudmila Dobysheva via Wien [[email protected]] Gesendet: Samstag, 16. Dezember 2023 12:02 An: [email protected] Cc: Lyudmila Dobysheva Betreff: Re: [Wien] lapw1.def failed 16.12.2023 10:37, shamik chakrabarti wrote: > At the 7th cycle I got the following error; > stop error > error: command /home/akt/Desktop/Shamik_Installation/Wien2k/lapw1c > lapw1.def failed > > lapw1 -c (02:25:39) 737.008u 71.143s 5:39.69 237.9% 0+0k > 1064+165016io 8pf+0w > > lapw0 (02:24:23) 176.006u 3.565s 1:16.19 235.6% 0+0k > 4264+103984io 22pf+0w > In error file it is written as "Error in LAPW1" Failed here not lapw1.def, but command lapw1c with a standard argument lapw1.def You gave too little information. There should be some info, maybe in case.dayfile, or .output1, :log Is it in parallel mode or not? Try to repeat in terminal the command x lapw1 -c sometimes its output is more informative. What are other settings? case.in* files? Check what happened in the first six iterations and compare the outputs with those in the 7th. Was computer well at that time? maybe some accident problem occurred? Does the stop repeat at the same place? and so long, and so forth... Best wishes Lyudmila Dobysheva ------------------ http://ftiudm.ru/content/view/25/103/lang,english/ Institute of Physics and Technology, Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci. 426000 Izhevsk Kirov str. 132 Russia --- Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home) Skype: lyuka18 (office), lyuka17 (home) E-mail: [email protected] (office), [email protected] (home) _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
