Re: [Wien] lapw2 crashed error

2019-12-10 Thread Gavin Abo
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

Re: [Wien] lapw2 crashed error

2019-12-06 Thread Peeyush kumar kamlesh
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

Re: [Wien] lapw2 crashed error

2019-11-27 Thread Gavin Abo
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

Re: [Wien] lapw2 crashed error

2019-11-27 Thread Peeyush kumar kamlesh
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

Re: [Wien] lapw2 crashed error

2019-11-25 Thread Pavel Ondračka
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.

Re: [Wien] lapw2 crashed error

2019-11-25 Thread Gavin Abo
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

Re: [Wien] lapw2 crashed error

2019-11-25 Thread Peeyush kumar kamlesh
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

Re: [Wien] lapw2 crashed error

2019-11-25 Thread Laurence Marks
ran, 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

Re: [Wien] lapw2 crashed error

2019-11-25 Thread Tran, Fabien
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

[Wien] lapw2 crashed error

2019-11-25 Thread Peeyush kumar kamlesh
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