Re: [Wien] segmentation fault in lapwso

2021-06-10 Thread Fecher, Gerhard
Thanks all for the suggestions. Finally, restarting the computer helped, no idea what happened. I will try some more things to reproduce it. (actually it runs with OMP_NUM_THREADS=8, just as test.) Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to

Re: [Wien] segmentation fault in lapwso

2021-06-10 Thread Peter Blaha
Please set OMP_NUM_THREADS to 1 and rerun. I had such a seg.fault once and suspect that there is a problem either with our OMP parallelization or the pthread-library. If I remember correctly, it even worked with OMP_NUM_THREADS=6 ! and my conclusion was that it was a problem with intel. Oth

Re: [Wien] segmentation fault in lapwso

2021-06-10 Thread Rubel, Oleg
Dear Gerhard, I did SOC calculations with v21.1 and they were OK. It would be interesting to try your case. Would it be possible to share the whole folder as tar.gz? Thank you Oleg From: Wien on behalf of Fecher, Gerhard Sent: Thursday, June 10, 2021

[Wien] segmentation fault in lapwso

2021-06-10 Thread Fecher, Gerhard
Dear all, while running a -so calculation I hit a segmentation fault in lapwso (see below) with the latest version Wien2k21.1 that does NOT appear in 19.2. (appeared for two different systems in fresh directories) Did someone experience the same, or did I miss a report and may be not up to date?