Re: [Wien] MPI error

Am 12.04.2021 um 20:00 schrieb leila mollabashi: Dear Prof. Peter Blaha and WIEN2k users, Thank you. Now my .machines file is: lapw0:e0591:4 1:e0591:4 1:e0591:4 granularity:1 extrafine:1 I have installed WIEN2k in my user in the cluster. When I use this script “srun --pty /bin/bash”

Re: [Wien] MPI error

Dear Prof. Peter Blaha and WIEN2k users, Thank you. Now my .machines file is: lapw0:e0591:4 1:e0591:4 1:e0591:4 granularity:1 extrafine:1 I have installed WIEN2k in my user in the cluster. When I use this script “srun --pty /bin/bash” then it goes to one node of the cluster, the “ls -als

Re: [Wien] error in wien2k

Several Points: a) Please read http://www.wien2k.at/reg_user/mailing_list/ for information on what type of information is needed before you make a post. For certain you have not provided enough. b) The error being reported is correct (albeit with a spelling error). You probably have overlapping

[Wien] error in wien2k

Sir, I am using Wien2k19.2 in my workstation with ubuntu os and when i try to generate the structure by generating template and giving the lattice parameters manually and then run initialiastion, i am getting the following error next is setrmt next is nn STOP NN ENDS specify