Re: [Wien] SOC Error
And there is also a std.err file which gives a message as LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END LAPWSO END cat: case.normsoup_21: No such file or directory cat: case.normsodn_21: No such file or directory FERMI - Error Paresh Chandra Rout Postdoctoral Researcher King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Mobile: +966 565671754 Email address: paresh.r...@kaust.edu.sa 3231-WS13 On Thu, Oct 3, 2019 at 5:13 PM Paresh Rout wrote: > Hi, > This is the message found in the std.out file > > The job 11236734 is running on nid0[1035-1038] > cleaning /lustre/project/k1361/Projects_Paresh/.New_projects > in cycle 2ETEST: .37772516 CTEST: .038764 > > > stop error > > Paresh > > Paresh Chandra Rout > Postdoctoral Researcher > King Abdullah University of Science and Technology (KAUST) > Thuwal 23955-6900 > Kingdom of Saudi Arabia > Mobile: +966 565671754 > Email address: paresh.r...@kaust.edu.sa > 3231-WS13 > > > On Thu, Oct 3, 2019 at 2:16 PM Paresh Rout > wrote: > >> Dear Prof. Marks: >> >> Thank you for your reply. Unfortunately, I did not receive your email but >> found your reply in wien archive. >> >> After doing cat *error. I found the following error message >> 'LAPW2' - can't open unit: 30 >> >> 'LAPW2' -filename: Lu2NiIrO6.energysoup_21 >> >> ** testerror: Error in Parallel LAPW2 >> >> and found that the file *Lu2NiIrO6.energysoup_21* 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 >> attached below. Kindly let me know if anything needs to be done. >> >> >> Best regards, >> Paresh >> >> >> >> >> >> Paresh Chandra Rout >> Postdoctoral Researcher >> King Abdullah University of Science and Technology (KAUST) >> Thuwal 23955-6900 >> Kingdom of Saudi Arabia >> Mobile: +966 565671754 >> Email address: paresh.r...@kaust.edu.sa >> 3231-WS13 >> >> >> On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout >> wrote: >> >>> >>> Dear all, >>> I am doing SOC calculation in wien2k_17. I am getting some error in >>> between SCF calculation (around 9th or 10th cycle) as below. >>> >>> > lapw2 -up -p -c -so (13:21:14) running LAPW2 in parallel mode >>> ** LAPW2 crashed! >>> 0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w >>> error: command >>> /sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara -up >>> -c -so uplapw2.def failed >>> >>> > stop error >>> >>> Could you please help me out with this? >>> >>> Best regards, >>> Paresh >>> >>> >>> >>> Paresh Chandra Rout >>> Postdoctoral Researcher >>> King Abdullah University of Science and Technology (KAUST) >>> Thuwal 23955-6900 >>> Kingdom of Saudi Arabia >>> Mobile: +966 565671754 >>> Email address: paresh.r...@kaust.edu.sa >>> 3231-WS13 >>> >> -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email. ___ 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] SOC Error
Hi, This is the message found in the std.out file The job 11236734 is running on nid0[1035-1038] cleaning /lustre/project/k1361/Projects_Paresh/.New_projects in cycle 2ETEST: .37772516 CTEST: .038764 > stop error Paresh Paresh Chandra Rout Postdoctoral Researcher King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Mobile: +966 565671754 Email address: paresh.r...@kaust.edu.sa 3231-WS13 On Thu, Oct 3, 2019 at 2:16 PM Paresh Rout wrote: > Dear Prof. Marks: > > Thank you for your reply. Unfortunately, I did not receive your email but > found your reply in wien archive. > > After doing cat *error. I found the following error message > 'LAPW2' - can't open unit: 30 > > 'LAPW2' -filename: Lu2NiIrO6.energysoup_21 > > ** testerror: Error in Parallel LAPW2 > > and found that the file *Lu2NiIrO6.energysoup_21* 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 > attached below. Kindly let me know if anything needs to be done. > > > Best regards, > Paresh > > > > > > Paresh Chandra Rout > Postdoctoral Researcher > King Abdullah University of Science and Technology (KAUST) > Thuwal 23955-6900 > Kingdom of Saudi Arabia > Mobile: +966 565671754 > Email address: paresh.r...@kaust.edu.sa > 3231-WS13 > > > On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout > wrote: > >> >> Dear all, >> I am doing SOC calculation in wien2k_17. I am getting some error in >> between SCF calculation (around 9th or 10th cycle) as below. >> >> > lapw2 -up -p -c -so (13:21:14) running LAPW2 in parallel mode >> ** LAPW2 crashed! >> 0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w >> error: command >> /sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara -up >> -c -so uplapw2.def failed >> >> > stop error >> >> Could you please help me out with this? >> >> Best regards, >> Paresh >> >> >> >> Paresh Chandra Rout >> Postdoctoral Researcher >> King Abdullah University of Science and Technology (KAUST) >> Thuwal 23955-6900 >> Kingdom of Saudi Arabia >> Mobile: +966 565671754 >> Email address: paresh.r...@kaust.edu.sa >> 3231-WS13 >> > -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email. ___ 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] SOC Error
Dear Prof. Marks: Thank you for your reply. Unfortunately, I did not receive your email but found your reply in wien archive. After doing cat *error. I found the following error message 'LAPW2' - can't open unit: 30 'LAPW2' -filename: Lu2NiIrO6.energysoup_21 ** testerror: Error in Parallel LAPW2 and found that the file *Lu2NiIrO6.energysoup_21* 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 attached below. Kindly let me know if anything needs to be done. Best regards, Paresh Paresh Chandra Rout Postdoctoral Researcher King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Mobile: +966 565671754 Email address: paresh.r...@kaust.edu.sa 3231-WS13 On Wed, Oct 2, 2019 at 4:26 PM Paresh Rout wrote: > > Dear all, > I am doing SOC calculation in wien2k_17. I am getting some error in > between SCF calculation (around 9th or 10th cycle) as below. > > > lapw2 -up -p -c -so (13:21:14) running LAPW2 in parallel mode > ** LAPW2 crashed! > 0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w > error: command > /sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara -up > -c -so uplapw2.def failed > > > stop error > > Could you please help me out with this? > > Best regards, > Paresh > > > > Paresh Chandra Rout > Postdoctoral Researcher > King Abdullah University of Science and Technology (KAUST) > Thuwal 23955-6900 > Kingdom of Saudi Arabia > Mobile: +966 565671754 > Email address: paresh.r...@kaust.edu.sa > 3231-WS13 > -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email. case.dayfile 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
[Wien] SOC Error
Dear all, I am doing SOC calculation in wien2k_17. I am getting some error in between SCF calculation (around 9th or 10th cycle) as below. > lapw2 -up -p -c -so (13:21:14) running LAPW2 in parallel mode ** LAPW2 crashed! 0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w error: command /sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara -up -c -so uplapw2.def failed > stop error Could you please help me out with this? Best regards, Paresh Paresh Chandra Rout Postdoctoral Researcher King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Mobile: +966 565671754 Email address: paresh.r...@kaust.edu.sa 3231-WS13 -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email. ___ 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
