<div dir="ltr">The segfault persists also when disabling optimisation using "-O0" for gfortran. Best, H</div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Sep 20, 2017 at 1:52 PM, Hugo Strand <span dir="ltr"><<a href="mailto:hugo.strand@gmail.com" target="_blank">hugo.strand@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Adding debug symbols in lapwso with "-g -ggdb" gives the full backtrace showing line numbers in the source code where the invalid memory access occurs (lap_bp.f:4427), see below.<div><br></div><div>Best, Hugo</div><div><br></div><div><div><font face="monospace, monospace" size="1">[NiO] $ runsp -so</font></div><div><font face="monospace, monospace" size="1">STOP LAPW0 END</font></div><div><font face="monospace, monospace" size="1">Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG</font></div><div><font face="monospace, monospace" size="1">STOP LAPW1 END</font></div><div><font face="monospace, monospace" size="1">Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG</font></div><div><font face="monospace, monospace" size="1">STOP LAPW1 END</font></div><div><font face="monospace, monospace" size="1">ASAN:DEADLYSIGNAL</font></div><div><font face="monospace, monospace" size="1">==============================<wbr>==============================<wbr>=====</font></div><div><font face="monospace, monospace" size="1">==50875==ERROR: AddressSanitizer: SEGV on unknown address 0x00088d7a3c70 (pc 0x7fffaca48086 bp 0x7fff56c4fff0 sp 0x7fff56c4fff0 T0)</font></div><div><font face="monospace, monospace" size="1"> #0 0x7fffaca48085 in APL_stbmvUTN_AVX (/System/Library/Frameworks/<wbr>Accelerate.framework/Versions/<wbr>A/Frameworks/vecLib.framework/<wbr>Versions/A/libBLAS.dylib+<wbr>0xa5085)</font></div><div><font face="monospace, monospace" size="1"> #1 0x1090555ec in zlatd4_ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lap_bp.f:4427</font></div><div><font face="monospace, monospace" size="1"> #2 0x109051ece in zhhtr4_ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lap_bp.f:3933</font></div><div><font face="monospace, monospace" size="1"> #3 0x10905133f in zhhtrd_ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lap_bp.f:4164</font></div><div><font face="monospace, monospace" size="1"> #4 0x109068425 in zhhevx_ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lap_bp.f:3244</font></div><div><font face="monospace, monospace" size="1"> #5 0x1090032c6 in hmsec_ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/hmsec.F:790</font></div><div><font face="monospace, monospace" size="1"> #6 0x10902750b in MAIN__ /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lapwso.F:592</font></div><div><font face="monospace, monospace" size="1"> #7 0x109027b74 in main /Users/hugstr/src/WIEN2k_<wbr>17alpha_20170920_1100/SRC_<wbr>lapwso/lapwso.F:2</font></div><div><font face="monospace, monospace" size="1"> #8 0x7fffc511b234 in start (/usr/lib/system/libdyld.<wbr>dylib+0x5234)</font></div><div><font face="monospace, monospace" size="1"> #9 0x1 (<unknown module>)</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">AddressSanitizer can not provide additional info.</font></div><div><font face="monospace, monospace" size="1">SUMMARY: AddressSanitizer: SEGV (/System/Library/Frameworks/<wbr>Accelerate.framework/Versions/<wbr>A/Frameworks/vecLib.framework/<wbr>Versions/A/libBLAS.dylib+<wbr>0xa5085) in APL_stbmvUTN_AVX</font></div><div><font face="monospace, monospace" size="1">==50875==ABORTING</font></div><span class=""><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">Program received signal SIGABRT: Process abort signal.</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">Backtrace for this error:</font></div></span><div><font face="monospace, monospace" size="1">#0 0x1092a8e26</font></div><div><font face="monospace, monospace" size="1">#1 0x1092a85ec</font></div><div><font face="monospace, monospace" size="1">#2 0x7fffc532ab39</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">> stop error</font></div></div><div><br></div></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Sep 20, 2017 at 9:44 AM, Hugo Strand <span dir="ltr"><<a href="mailto:hugo.strand@gmail.com" target="_blank">hugo.strand@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Wien2k experts,<div><br></div><div>I attending the Wien2k workshop and I am trying to run the exercises on my own laptop. However attempting to do spin orbit calculations on NiO as described in,</div><div><br></div><div><a href="http://susi.theochem.tuwien.ac.at/events/ws2017/notes/tutorial_AFM_LDA+U_SO.pdf" target="_blank">http://susi.theochem.tuwien.ac<wbr>.at/events/ws2017/notes/tutori<wbr>al_AFM_LDA+U_SO.pdf</a><br></div><div><br></div><div>yields a segfault in lapw1 when running runsp -so. (The gga and gga+u calculations works fine only the SOC cases fail.) I am using mac os Sierra (v10.12.6) and gfortran 6.4.0 installed using MacPorts.</div><div><br></div><div>I have recompiled Wien2k with -fsanitize=address which gives a partial backtrace, see below. I have searched the mailing list for issues relating to gfortran, segfaults, and mac os without finding anything. I am posting the issue here after talking to Prof. Blaha.</div><div><br></div><div>Any guidance on how to debug this would be warmly welcome.</div><div><br></div><div>Best regards,</div><div>Hugo Strand</div><div><br></div><div>-- <br><div class="m_-4158096820705775804m_5391217844076468774gmail_signature"><div dir="ltr"><div dir="ltr"><div dir="ltr">Postdoc/Maître-assistant<br><div>Strongly correlated quantum materials (Prof. A. Georges)<br><br></div><div>Department of Quantum Matter Physics<br>Université de Genève, Ecole de Physique<br>24, Quai Ernest-Ansermet<br>CH-1211 Geneva 4<br>Switzerland</div></div></div></div></div></div><div><br></div><div><br></div><div><div><font face="monospace, monospace" size="1">[NiOso] $ runsp -so</font></div><div><font face="monospace, monospace" size="1">STOP LAPW0 END</font></div><div><font face="monospace, monospace" size="1">==============================<wbr>==============================<wbr>=====</font></div><div><font face="monospace, monospace" size="1">==64736==ERROR: AddressSanitizer: global-buffer-overflow on address 0x0001099a7746 at pc 0x000109cac8b9 bp 0x7fff562d9d10 sp 0x7fff562d94c0</font></div><div><font face="monospace, monospace" size="1">READ of size 7 at 0x0001099a7746 thread T0</font></div><div><font face="monospace, monospace" size="1"> #0 0x109cac8b8 in wrap_strlen.part.110 (/opt/local/lib/gcc6/libasan.3<wbr>.dylib+0x278b8)</font></div><div><font face="monospace, monospace" size="1"> #1 0x7fffacd29aa3 in DTREVC (/System/Library/Frameworks/Ac<wbr>celerate.framework/Versions/A/<wbr>Frameworks/vecLib.framework/Ve<wbr>rsions/A/libLAPACK.dylib+0x1ff<wbr>aa3)</font></div><div><font face="monospace, monospace" size="1"> #2 0x7fffacd29a71 in DTREVC (/System/Library/Frameworks/Ac<wbr>celerate.framework/Versions/A/<wbr>Frameworks/vecLib.framework/Ve<wbr>rsions/A/libLAPACK.dylib+0x1ff<wbr>a71)</font></div><div><font face="monospace, monospace" size="1"> #3 0x10993f6ea in dscgst_ (/Users/hugstr/src/WIEN2k_17.1<wbr>_debug_attempt/lapw1+0x10001b6<wbr>ea)</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">0x0001099a7746 is located 0 bytes to the right of global variable '*lC3' defined in 'dscgst_tmp_.F' (0x1099a7740) of size 6</font></div><div><font face="monospace, monospace" size="1">SUMMARY: AddressSanitizer: global-buffer-overflow (/opt/local/lib/gcc6/libasan.3<wbr>.dylib+0x278b8) in wrap_strlen.part.110</font></div><div><font face="monospace, monospace" size="1">Shadow bytes around the buggy address:</font></div><div><font face="monospace, monospace" size="1"> 0x100021334e90: f9 f9 f9 f9 00 05 f9 f9 f9 f9 f9 f9 00 00 00 00</font></div><div><font face="monospace, monospace" size="1"> 0x100021334ea0: 00 02 f9 f9 f9 f9 f9 f9 00 00 02 f9 f9 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334eb0: 00 00 00 00 00 f9 f9 f9 f9 f9 f9 f9 07 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334ec0: f9 f9 f9 f9 00 00 03 f9 f9 f9 f9 f9 00 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334ed0: f9 f9 f9 f9 07 f9 f9 f9 f9 f9 f9 f9 00 00 00 00</font></div><div><font face="monospace, monospace" size="1">=>0x100021334ee0: 01 f9 f9 f9 f9 f9 f9 f9[06]f9 f9 f9 f9 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334ef0: 00 00 00 00 00 f9 f9 f9 f9 f9 f9 f9 00 01 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334f00: f9 f9 f9 f9 05 f9 f9 f9 f9 f9 f9 f9 00 00 00 00</font></div><div><font face="monospace, monospace" size="1"> 0x100021334f10: 00 04 f9 f9 f9 f9 f9 f9 01 f9 f9 f9 f9 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334f20: 04 f9 f9 f9 f9 f9 f9 f9 06 f9 f9 f9 f9 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1"> 0x100021334f30: 01 f9 f9 f9 f9 f9 f9 f9 01 f9 f9 f9 f9 f9 f9 f9</font></div><div><font face="monospace, monospace" size="1">Shadow byte legend (one shadow byte represents 8 application bytes):</font></div><div><font face="monospace, monospace" size="1"> Addressable: 00</font></div><div><font face="monospace, monospace" size="1"> Partially addressable: 01 02 03 04 05 06 07 </font></div><div><font face="monospace, monospace" size="1"> Heap left redzone: fa</font></div><div><font face="monospace, monospace" size="1"> Heap right redzone: fb</font></div><div><font face="monospace, monospace" size="1"> Freed heap region: fd</font></div><div><font face="monospace, monospace" size="1"> Stack left redzone: f1</font></div><div><font face="monospace, monospace" size="1"> Stack mid redzone: f2</font></div><div><font face="monospace, monospace" size="1"> Stack right redzone: f3</font></div><div><font face="monospace, monospace" size="1"> Stack partial redzone: f4</font></div><div><font face="monospace, monospace" size="1"> Stack after return: f5</font></div><div><font face="monospace, monospace" size="1"> Stack use after scope: f8</font></div><div><font face="monospace, monospace" size="1"> Global redzone: f9</font></div><div><font face="monospace, monospace" size="1"> Global init order: f6</font></div><div><font face="monospace, monospace" size="1"> Poisoned by user: f7</font></div><div><font face="monospace, monospace" size="1"> Container overflow: fc</font></div><div><font face="monospace, monospace" size="1"> Array cookie: ac</font></div><div><font face="monospace, monospace" size="1"> Intra object redzone: bb</font></div><div><font face="monospace, monospace" size="1"> ASan internal: fe</font></div><div><font face="monospace, monospace" size="1"> Left alloca redzone: ca</font></div><div><font face="monospace, monospace" size="1"> Right alloca redzone: cb</font></div><div><font face="monospace, monospace" size="1">==64736==ABORTING</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">Program received signal SIGABRT: Process abort signal.</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">Backtrace for this error:</font></div><div><font face="monospace, monospace" size="1">#0 0x109ba1e26</font></div><div><font face="monospace, monospace" size="1">#1 0x109ba15ec</font></div><div><font face="monospace, monospace" size="1">#2 0x7fffc532ab39</font></div><div><font face="monospace, monospace" size="1"><br></font></div><div><font face="monospace, monospace" size="1">> stop error</font></div></div>
<div><br></div></div>
</blockquote></div><br></div>
</div></div></blockquote></div><br></div>