Re: [Wien] lapw1.def failed
A possible cause of the "Killed" message is the operating system terminating the program. For example, the user or queue system might have initiated a kill to the operating system for the job while it was still in the process of running. The operating system might also automatically kill the running process if all memory (or queue system memory limit [1]) on the system has been exhausted. You might want to check the system log. Refer to [2]. [1] https://doc.hpc.iter.es/2023.08/en/slurm/slurm_memory_limits/ [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19703.html Kind Regards, Gavin WIEN2k user On 12/17/2023 6:11 AM, shamik chakrabarti wrote: Dear Madam & Sir, The error appeared at the first cycle itself with the following error; STOP LAPW0 END Killed grep: lapw2*.error: No such file or directory > stop error What could be the remedy? Looking forward to your reply. with regards,___ 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
Re: [Wien] lapw1.def failed
Dear Madam & Sir, The error appeared at the first cycle itself with the following error; STOP LAPW0 END Killed grep: lapw2*.error: No such file or directory > stop error What could be the remedy? Looking forward to your reply. with regards, On Sat, 16 Dec 2023 at 17:08, Fecher, Gerhard wrote: > 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 [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von > Lyudmila Dobysheva via Wien [wien@zeus.theochem.tuwien.ac.at] > Gesendet: Samstag, 16. Dezember 2023 12:02 > An: wien@zeus.theochem.tuwien.ac.at > 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: lyuk...@mail.ru (office), lyuk...@gmail.com (home) > > ___ > 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 > ___ > 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 > -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India ___ 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
Re: [Wien] lapw1.def failed
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 [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Lyudmila Dobysheva via Wien [wien@zeus.theochem.tuwien.ac.at] Gesendet: Samstag, 16. Dezember 2023 12:02 An: wien@zeus.theochem.tuwien.ac.at 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: lyuk...@mail.ru (office), lyuk...@gmail.com (home) ___ 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 ___ 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
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: lyuk...@mail.ru (office), lyuk...@gmail.com (home) ___ 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
[Wien] lapw1.def failed
Dear Wien2k users, I have started to simulate an electrolyte material (structure attached) using non-spin polarization. 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" Looking forward to your response in this regard. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India LGPSO_minf.struct Description: Binary data ___ 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
