[Wien] segmentation fault in lapwso

[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 <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Fecher, Gerhard <fecher at uni-mainz.de>
Sent: Thursday, June 10, 2021 07:17
To: A Mailing list for WIEN2k users
Subject: [Wien] segmentation fault in lapwso

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?

I used all settings the same (mostly default values), and the same compilers and options (Intel OneAPI 2021 2.0 and Parallel Studio XE 2017.4.056) for both versions, 21.1 and 19.2

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
lapwso             000000000046CE0A  Unknown               Unknown  Unknown
libpthread-2.22.s  00002AFBCC6DAB10  Unknown               Unknown  Unknown
libiomp5.so        00002AFBCCF2C8E8  Unknown               Unknown  Unknown
lapwso             000000000049F7A6  Unknown               Unknown  Unknown
lapwso             0000000000421E9E  hmsec_                    926  hmsec.F

line 926 is;       deallocate(meigve)
indeed, if  this is the correct line at all.

indeed in 21.2 (I have seen that hmsec.F is different in 19.2)

Thanks for any suggestions that help

Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
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