Re: [Wien] lapwso segfault

2023-11-20 Thread Peter Blaha
Hi, Such segfaults have been reported before and I also had this in one or two cases. As far as I know, it is not well reproducible, seems to depend on the computer and in particular on the specific input. Changing emax a bit, already makes lapwso running again. A couple of years ago I had

[Wien] lapwso segfault

2023-11-20 Thread Mikhail Nestoklon via Wien
Dear wien2k community, I am trying to check the convergence of problem with respect to Emax and the problem fails starting Emax~=8.5 (strained InP, 2 atoms in elementary cell) with segfault for lapwso.    WIEN2k version is 23.2. Intel OneAPI 21 (ifort (IFORT) 2021.11.0 20231010).   The problem