Re: [Wien] lapw2 crashed error
The arguments to the sed command are probably not being satisfied then. I don't recall you ever mentioning, does the "sed: Command not found" only appear in cycle 8 or did it occur in the previous cycles? If only in cycle 8, something likely went awry in the previous cycles. Since you doing a parallel hf calculation (run_lapw -hf -p) [1], are you using the latest and greatest hf program? In other words, WIEN2k 19.1 with the hfpara_lapw.patch [2]. [1] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19327.html [2] https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1 On 12/6/2019 5:06 PM, Peeyush kumar kamlesh wrote: Dear Gavin sir, Thank you so much for your reply. And I am sorry for late reply. But it was showing only "/sed: Command not found"./ I dont use sudo to run WIEN2k. I use my user account only. When I checked sed, It shows below information: peeyush@Peeyush-PC:~$ which sed /bin/sed It means it is there in my system. ___ 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] lapw2 crashed error
Dear Gavin sir, Thank you so much for your reply. And I am sorry for late reply. But it was showing only "*sed: Command not found".* I dont use sudo to run WIEN2k. I use my user account only. When I checked sed, It shows below information: peeyush@Peeyush-PC:~$ which sed /bin/sed It means it is there in my system. ___ 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] lapw2 crashed error
If the "Command not found" is not from the sed command itself, it might be caused by the arguments to the sed command. However, it cannot be determined what the cause and solution is unless the script and line with the sed command is identified. If you can provide information on the computing system, perhaps someone will encounter the same problem or be able to reproduce it. Linux version (example, Ubuntu 18.04.3): sed version (example, output of command 'sed --version' [1]): tcsh version (example, output of command 'dpkg -l tcsh' [2]): csh version (example, output of command 'dpkg -l csh' [3]): WIEN2k version (example, output of command 'cat WIEN2k_VERSION' [4]): Did you just check 'sed' in your user account? Since you are doing parallel, did you also check if sed works when you login to your nodes (which appears to be 'ssh localhost' in your case)? If you use root, su, or sudo for running WIEN2k, I suggest use of the user account instead and not those unless your experienced with that as those administrative environments can sometimes behave differently with unexpected consequences [5]. [1] http://manpages.ubuntu.com/manpages/trusty/man1/sed.1.html [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18018.html [3] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16030.html [4] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18956.html [5] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10594.html On 11/27/2019 4:32 AM, Peeyush kumar kamlesh wrote: Thank you all ! The problem is solved by running the same command with using additional flag "-NI". Dear Gavin Sir, 'sed' is already installed, still it showed *"sed: Command not found". * On Tue, Nov 26, 2019 at 5:53 AM Peeyush kumar kamlesh mailto:peeyush.physik@gmail.com>> wrote: Sir, I am using single node of four cores. Mu machine file is below: __ 100:localhost 100:localhost 100:localhost 100:localhost granularity:1 extrafine:1 omp_global:4 On Mon, Nov 25, 2019 at 10:06 PM Peeyush kumar kamlesh mailto:peeyush.physik@gmail.com>> wrote: Hello Wien2k user, Greetings! I am running scf cycle with hf potential. When I run the command "run_lapw -hf -p", then after successful completion of 7 cycles, I found error in cycle 8. In terminal it is represented as follows: in cycle 8 ETEST: .000491915000 CTEST: .0035867 hup: Command not found. LAPW0 END LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END sed: Command not found. LAPW2 - Error. Check file lapw2.error cp: cannot stat '.in.tmp': No such file or directory > stop error -- When I checked lapw2.error file I found following details: _ 'LAPW2' - can't open unit: 10 'LAPW2' - filename: /case.vector 'LAPW2' - status: unknown form: unformatted ** testerror: Error in Parallel LAPW2 --- I also tried to search and understand the previous threads, but I was unable to do so. Kindly suggest me why this error is appearing and how can it be resolved? Thanks and Regards Peeyush Kumar Kamlesh ___ 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] lapw2 crashed error
Thank you all ! The problem is solved by running the same command with using additional flag "-NI". Dear Gavin Sir, 'sed' is already installed, still it showed *"sed: Command not found".* On Tue, Nov 26, 2019 at 5:53 AM Peeyush kumar kamlesh < peeyush.physik@gmail.com> wrote: > Sir, > I am using single node of four cores. Mu machine file is below: > __ > 100:localhost > 100:localhost > 100:localhost > 100:localhost > granularity:1 > extrafine:1 > omp_global:4 > > > On Mon, Nov 25, 2019 at 10:06 PM Peeyush kumar kamlesh < > peeyush.physik@gmail.com> wrote: > >> Hello Wien2k user, >> Greetings! >> I am running scf cycle with hf potential. When I run the command >> "run_lapw -hf -p", then after successful completion of 7 cycles, I found >> error in cycle 8. In terminal it is represented as follows: >> >> in cycle 8ETEST: .000491915000 CTEST: .0035867 >> hup: Command not found. >> LAPW0 END >> LAPW0 END >> LAPW1 END >> LAPW1 END >> LAPW1 END >> LAPW1 END >> sed: Command not found. >> LAPW2 - Error. Check file lapw2.error >> cp: cannot stat '.in.tmp': No such file or directory >> >> > stop error >> >> -- >> >> When I checked lapw2.error file I found following details: >> _ >> 'LAPW2' - can't open unit: 10 >> >> 'LAPW2' -filename: /case.vector >> >> 'LAPW2' - status: unknown form: unformatted >> >> ** testerror: Error in Parallel LAPW2 >> >> --- >> >> I also tried to search and understand the previous threads, but I was >> unable to do so. Kindly suggest me why this error is appearing and how can >> it be resolved? >> >> Thanks and Regards >> Peeyush Kumar Kamlesh >> > ___ 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] lapw2 crashed error
Hi, I can't comment on the lapw2 error but just a small note about the .machines file. The four "100:localhost" lines mean that you run the lapw1, lapw2 and hf parallel over kpoints (in four separate processes). The "omp_global:4" line means that every Wien2k process will try to use 4 threads. Therefore, the total load during lapw1 and lapw2 will be 16, leading potentially to large overload and suboptimal speed. I would suggest to replace the "omp_global:4" with lines "omp_lapw0:4" and "omp_mixer:4" to just use the OpenMP parallelization in parts of the Wien2k where there is no parallelization over the kpoints. Best regards Pavel On Tue, 2019-11-26 at 05:53 +0530, Peeyush kumar kamlesh wrote: > Sir, > I am using single node of four cores. Mu machine file is below: > __ > 100:localhost > 100:localhost > 100:localhost > 100:localhost > granularity:1 > extrafine:1 > omp_global:4 > > > On Mon, Nov 25, 2019 at 10:06 PM Peeyush kumar kamlesh < > peeyush.physik@gmail.com> wrote: > > Hello Wien2k user, > > Greetings! > > I am running scf cycle with hf potential. When I run the command > > "run_lapw -hf -p", then after successful completion of 7 cycles, I > > found error in cycle 8. In terminal it is represented as follows: > > > > in cycle 8ETEST: .000491915000 CTEST: .0035867 > > hup: Command not found. > > LAPW0 END > > LAPW0 END > > LAPW1 END > > LAPW1 END > > LAPW1 END > > LAPW1 END > > sed: Command not found. > > LAPW2 - Error. Check file lapw2.error > > cp: cannot stat '.in.tmp': No such file or directory > > > > > stop error > > - > > - > > > > When I checked lapw2.error file I found following details: > > _ > > 'LAPW2' - can't open unit: 10 > > > > 'LAPW2' -filename: /case.vector > > > > 'LAPW2' - status: unknown form: unformatted > > > > ** testerror: Error in Parallel LAPW2 > > - > > -- > > > > I also tried to search and understand the previous threads, but I > > was unable to do so. Kindly suggest me why this error is appearing > > and how can it be resolved? > > > > Thanks and Regards > > Peeyush Kumar Kamlesh > > ___ > 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] lapw2 crashed error
Probably the error "sed: Command not found" should not be ignored. Do you have sed installed? The command to install it can vary such as between Debian based (sudo apt install sed) and RPM based systems (yum install sed) [1]. So check the documentation for your Linux distribution for how to install it. The "filename: /case.vector" might also provide a clue at what might be wrong. It is usually problematic for files to be at the root (/) path. Though as mentioned previously [2], that might not be a problem for hf. However, "case.vector" is likely for a non-hf non-parallel calculation (run_lapw) when the program likely should be looking for a "case.vectorhf_$i" file for your hf parallel calculation (run_lapw -hf -p). Adding the verbose switch to your script(s), such as x_lapw and/or lapw2para_lapw, might help you isolate where the problem is occurring [3,4]. [1] https://www.tutorialspoint.com/sed/sed_environment.htm [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19229.html [3] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17973.html [4] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15011.html On 11/25/2019 9:36 AM, Peeyush kumar kamlesh wrote: Hello Wien2k user, Greetings! I am running scf cycle with hf potential. When I run the command "run_lapw -hf -p", then after successful completion of 7 cycles, I found error in cycle 8. In terminal it is represented as follows: in cycle 8 ETEST: .000491915000 CTEST: .0035867 hup: Command not found. LAPW0 END LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END sed: Command not found. LAPW2 - Error. Check file lapw2.error cp: cannot stat '.in.tmp': No such file or directory > stop error -- When I checked lapw2.error file I found following details: _ 'LAPW2' - can't open unit: 10 'LAPW2' - filename: /case.vector 'LAPW2' - status: unknown form: unformatted ** testerror: Error in Parallel LAPW2 --- I also tried to search and understand the previous threads, but I was unable to do so. Kindly suggest me why this error is appearing and how can it be resolved? Thanks and Regards Peeyush Kumar Kamlesh ___ 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] lapw2 crashed error
Sir, I am using single node of four cores. Mu machine file is below: __ 100:localhost 100:localhost 100:localhost 100:localhost granularity:1 extrafine:1 omp_global:4 On Mon, Nov 25, 2019 at 10:06 PM Peeyush kumar kamlesh < peeyush.physik@gmail.com> wrote: > Hello Wien2k user, > Greetings! > I am running scf cycle with hf potential. When I run the command "run_lapw > -hf -p", then after successful completion of 7 cycles, I found error in > cycle 8. In terminal it is represented as follows: > > in cycle 8ETEST: .000491915000 CTEST: .0035867 > hup: Command not found. > LAPW0 END > LAPW0 END > LAPW1 END > LAPW1 END > LAPW1 END > LAPW1 END > sed: Command not found. > LAPW2 - Error. Check file lapw2.error > cp: cannot stat '.in.tmp': No such file or directory > > > stop error > > -- > > When I checked lapw2.error file I found following details: > _ > 'LAPW2' - can't open unit: 10 > > 'LAPW2' -filename: /case.vector > > 'LAPW2' - status: unknown form: unformatted > > ** testerror: Error in Parallel LAPW2 > > --- > > I also tried to search and understand the previous threads, but I was > unable to do so. Kindly suggest me why this error is appearing and how can > it be resolved? > > Thanks and Regards > Peeyush Kumar Kamlesh > ___ 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] lapw2 crashed error
When Fabien says "restart", he may mean "continue", i.e. use "-NI". Probably only restart from scratch if nothing works. N.B., I suggest in general look in all *.error files, the crash is probably in lapw1 or similar. On Mon, Nov 25, 2019 at 10:42 AM Tran, Fabien wrote: > Restart the calculation. Maybe then it works. > > > -- > *From:* Wien on behalf of > Peeyush kumar kamlesh > *Sent:* Monday, November 25, 2019 5:36 PM > *To:* wien-requ...@zeus.theochem.tuwien.ac.at; > wien@zeus.theochem.tuwien.ac.at > *Subject:* [Wien] lapw2 crashed error > > Hello Wien2k user, > Greetings! > I am running scf cycle with hf potential. When I run the command "run_lapw > -hf -p", then after successful completion of 7 cycles, I found error in > cycle 8. In terminal it is represented as follows: > > in cycle 8ETEST: .000491915000 CTEST: .0035867 > hup: Command not found. > LAPW0 END > LAPW0 END > LAPW1 END > LAPW1 END > LAPW1 END > LAPW1 END > sed: Command not found. > LAPW2 - Error. Check file lapw2.error > cp: cannot stat '.in.tmp': No such file or directory > > > stop error > > -- > > When I checked lapw2.error file I found following details: > _ > 'LAPW2' - can't open unit: 10 > > 'LAPW2' -filename: /case.vector > > 'LAPW2' - status: unknown form: unformatted > > ** testerror: Error in Parallel LAPW2 > > --- > > I also tried to search and understand the previous threads, but I was > unable to do so. Kindly suggest me why this error is appearing and how can > it be resolved? > > Thanks and Regards > Peeyush Kumar Kamlesh > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=_N5ciQBhVklGqF1FdY2OG34KeeCdaQ0f4beNyBb_wZE=F9C8l5kYh-FFMkS6HNAbrXC14XqMGQsg-NX_v6X2RKk= > SEARCH the MAILING-LIST at: > https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html=DwICAg=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0=_N5ciQBhVklGqF1FdY2OG34KeeCdaQ0f4beNyBb_wZE=vVm1nvu9pJw_grUM8JCUfZUA_F6ra3IhGi7EHMafCr0= > -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu Corrosion in 4D: www.numis.northwestern.edu/MURI Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi ___ 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] lapw2 crashed error
Restart the calculation. Maybe then it works. From: Wien on behalf of Peeyush kumar kamlesh Sent: Monday, November 25, 2019 5:36 PM To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at Subject: [Wien] lapw2 crashed error Hello Wien2k user, Greetings! I am running scf cycle with hf potential. When I run the command "run_lapw -hf -p", then after successful completion of 7 cycles, I found error in cycle 8. In terminal it is represented as follows: in cycle 8ETEST: .000491915000 CTEST: .0035867 hup: Command not found. LAPW0 END LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END sed: Command not found. LAPW2 - Error. Check file lapw2.error cp: cannot stat '.in.tmp': No such file or directory > stop error -- When I checked lapw2.error file I found following details: _ 'LAPW2' - can't open unit: 10 'LAPW2' -filename: /case.vector 'LAPW2' - status: unknown form: unformatted ** testerror: Error in Parallel LAPW2 --- I also tried to search and understand the previous threads, but I was unable to do so. Kindly suggest me why this error is appearing and how can it be resolved? Thanks and Regards Peeyush Kumar Kamlesh ___ 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] lapw2 crashed error
Hello Wien2k user, Greetings! I am running scf cycle with hf potential. When I run the command "run_lapw -hf -p", then after successful completion of 7 cycles, I found error in cycle 8. In terminal it is represented as follows: in cycle 8ETEST: .000491915000 CTEST: .0035867 hup: Command not found. LAPW0 END LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END sed: Command not found. LAPW2 - Error. Check file lapw2.error cp: cannot stat '.in.tmp': No such file or directory > stop error -- When I checked lapw2.error file I found following details: _ 'LAPW2' - can't open unit: 10 'LAPW2' -filename: /case.vector 'LAPW2' - status: unknown form: unformatted ** testerror: Error in Parallel LAPW2 --- I also tried to search and understand the previous threads, but I was unable to do so. Kindly suggest me why this error is appearing and how can it be resolved? Thanks and Regards Peeyush Kumar Kamlesh ___ 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
