<div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">Dear Wien2k Community,<div> Greetings!</div><div> This message is only to inform that I also had a fragmentation problem with lapwso and Wien2k-21.</div><div> It was a very strange case. After a converged SCF cycle with mBJ and SO, I could not run "run_lapw -NI -so ...". In this case, I always got the following error after lapwso:</div><div><br></div><div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred</div>Image PC Routine Line Source <br>lapwso 000000000046A0EA Unknown Unknown Unknown<br>libpthread-2.28.s 00001530B217B730 Unknown Unknown Unknown<br>libiomp5.so 00001530B1D132FB Unknown Unknown Unknown<br>libiomp5.so 00001530B1D13049 Unknown Unknown Unknown<br>libiomp5.so 00001530B1D14B59 Unknown Unknown Unknown<br>libiomp5.so 00001530B1D161E8 Unknown Unknown Unknown<br>libiomp5.so 00001530B1D0C926 Unknown Unknown Unknown<br>lapwso 000000000049CA86 Unknown Unknown Unknown<br>lapwso 000000000040D77F hmsout_mp_finit_h 119 modules.F<br>lapwso 000000000042B94E MAIN__ 622 lapwso.F<br>lapwso 0000000000404D22 Unknown Unknown Unknown<br><a href="http://libc-2.28.so/" target="_blank">libc-2.28.so</a> 00001530A3E3609B __libc_start_main Unknown Unknown<br>lapwso 0000000000404C2A Unknown Unknown Unknown<br>0.167u 0.051s 0:00.10 210.0% 0+0k 0+1976io 0pf+0w<br>error: command /home/ogando/Wien/Wien21/lapwso lapwso.def failed<br></div><div><br></div><div> The solution was to change OMP_NUM_THREADS from 4 to 1.</div><div> I checked and it also worked with OMP_NUM_THREADS equal to 2 but not 3.</div><div> If someone is interested in the compilation options or any other information, please ask.</div><div> All the best,</div><div> Luis</div><div><br></div><div> </div></div></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Em qui., 10 de jun. de 2021 às 08:17, Fecher, Gerhard <<a href="mailto:fecher@uni-mainz.de" target="_blank">fecher@uni-mainz.de</a>> escreveu:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear all,<br>
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.<br>
(appeared for two different systems in fresh directories)<br>
<br>
Did someone experience the same, or did I miss a report and may be not up to date?<br>
<br>
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<br>
<br>
forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
Image PC Routine Line Source <br>
lapwso 000000000046CE0A Unknown Unknown Unknown<br>
libpthread-2.22.s 00002AFBCC6DAB10 Unknown Unknown Unknown<br>
libiomp5.so 00002AFBCCF2C8E8 Unknown Unknown Unknown<br>
lapwso 000000000049F7A6 Unknown Unknown Unknown<br>
lapwso 0000000000421E9E hmsec_ 926 hmsec.F<br>
<br>
line 926 is; deallocate(meigve) <br>
indeed, if this is the correct line at all.<br>
<br>
indeed in 21.2 (I have seen that hmsec.F is different in 19.2)<br>
<br>
Thanks for any suggestions that help<br>
<br>
Gerhard<br>
<br>
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:<br>
"I think the problem, to be quite honest with you,<br>
is that you have never actually known what the question is."<br>
<br>
====================================<br>
Dr. Gerhard H. Fecher<br>
Institut of Physics<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
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</blockquote></div>