[Wien] Segfault in runsp -so (lapw1), gfortran 6.4 on mac os sierra

[Hugo Strand]

Dear Wien2k experts,

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,

http://susi.theochem.tuwien.ac.at/events/ws2017/notes/tutorial_AFM_LDA+U_SO.pdf

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.

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.

Any guidance on how to debug this would be warmly welcome.

Best regards,
Hugo Strand

-- 
Postdoc/Maître-assistant
Strongly correlated quantum materials (Prof. A. Georges)

Department of Quantum Matter Physics
Université de Genève, Ecole de Physique
24, Quai Ernest-Ansermet
CH-1211 Geneva 4
Switzerland


[NiOso] $ runsp -so
STOP  LAPW0 END
=================================================================
==64736==ERROR: AddressSanitizer: global-buffer-overflow on address
0x0001099a7746 at pc 0x000109cac8b9 bp 0x7fff562d9d10 sp 0x7fff562d94c0
READ of size 7 at 0x0001099a7746 thread T0
    #0 0x109cac8b8 in wrap_strlen.part.110
(/opt/local/lib/gcc6/libasan.3.dylib+0x278b8)
    #1 0x7fffacd29aa3 in DTREVC
(/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib+0x1ffaa3)
    #2 0x7fffacd29a71 in DTREVC
(/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib+0x1ffa71)
    #3 0x10993f6ea in dscgst_
(/Users/hugstr/src/WIEN2k_17.1_debug_attempt/lapw1+0x10001b6ea)

0x0001099a7746 is located 0 bytes to the right of global variable '*lC3'
defined in 'dscgst_tmp_.F' (0x1099a7740) of size 6
SUMMARY: AddressSanitizer: global-buffer-overflow
(/opt/local/lib/gcc6/libasan.3.dylib+0x278b8) in wrap_strlen.part.110
Shadow bytes around the buggy address:
  0x100021334e90: f9 f9 f9 f9 00 05 f9 f9 f9 f9 f9 f9 00 00 00 00
  0x100021334ea0: 00 02 f9 f9 f9 f9 f9 f9 00 00 02 f9 f9 f9 f9 f9
  0x100021334eb0: 00 00 00 00 00 f9 f9 f9 f9 f9 f9 f9 07 f9 f9 f9
  0x100021334ec0: f9 f9 f9 f9 00 00 03 f9 f9 f9 f9 f9 00 f9 f9 f9
  0x100021334ed0: f9 f9 f9 f9 07 f9 f9 f9 f9 f9 f9 f9 00 00 00 00
=>0x100021334ee0: 01 f9 f9 f9 f9 f9 f9 f9[06]f9 f9 f9 f9 f9 f9 f9
  0x100021334ef0: 00 00 00 00 00 f9 f9 f9 f9 f9 f9 f9 00 01 f9 f9
  0x100021334f00: f9 f9 f9 f9 05 f9 f9 f9 f9 f9 f9 f9 00 00 00 00
  0x100021334f10: 00 04 f9 f9 f9 f9 f9 f9 01 f9 f9 f9 f9 f9 f9 f9
  0x100021334f20: 04 f9 f9 f9 f9 f9 f9 f9 06 f9 f9 f9 f9 f9 f9 f9
  0x100021334f30: 01 f9 f9 f9 f9 f9 f9 f9 01 f9 f9 f9 f9 f9 f9 f9
Shadow byte legend (one shadow byte represents 8 application bytes):
  Addressable:           00
  Partially addressable: 01 02 03 04 05 06 07
  Heap left redzone:       fa
  Heap right redzone:      fb
  Freed heap region:       fd
  Stack left redzone:      f1
  Stack mid redzone:       f2
  Stack right redzone:     f3
  Stack partial redzone:   f4
  Stack after return:      f5
  Stack use after scope:   f8
  Global redzone:          f9
  Global init order:       f6
  Poisoned by user:        f7
  Container overflow:      fc
  Array cookie:            ac
  Intra object redzone:    bb
  ASan internal:           fe
  Left alloca redzone:     ca
  Right alloca redzone:    cb
==64736==ABORTING

Program received signal SIGABRT: Process abort signal.

Backtrace for this error:
#0  0x109ba1e26
#1  0x109ba15ec
#2  0x7fffc532ab39

>   stop error
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