After some pondering I installed OpenBLAS and linked lapwso with that, this removes the segfault.
I.e. it seems to be a problem related to Wien2k + Accelerate (the BLAS+LAPACK of Mac OS X), when compiling Wien2k with "-framework Accelerate". Best regards, Hugo On Thu, Sep 21, 2017 at 7:21 AM, Gavin Abo <gs...@crimson.ua.edu> wrote: > > In your traceback, there is: > > #1 0x1090555ec in zlatd4_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lap_bp.f:4427 > > On line 4427 of SRC_lapwso/lap_bp.f in WIEN2k 17.1, there is: > > ABP(I1I) > > In the same file, > > Line 4212 has: > > COMPLEX*16 ABP( * ) > > Line 4242-4243 has: > > ! ABP (input/output) COMPLEX*16 array, > ! dimension (1:n*(n+1)/2+(n/hb+1)*hb*(hb-1)/2) > > In SRC_lapwso/hmsec.F, line 4 has: > > USE param > > Line 771 has: > > allocate (hso(num2)) > > In hmsec, it looks like the zhhevx call passes hso to variable AP that later gets passed to ABP. > > In SRC_lapwso/modules.F: > > MODULE param > INTEGER :: num2= 0 > > Line 205 in SRC_lapwso/lapwso.F: > > num2= nume2*(nume2+1)/2+(nume2/hblock+1)*(hblock*(hblock-1)/2) > > I'm not completely sure, but I wonder if the error is caused because in PROGRAM lapwso of lapwso.F there is not a line: > > USE param > > On 9/20/2017 5:52 AM, Hugo Strand wrote: > > 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. > > Best, Hugo > > [NiO] $ runsp -so > STOP LAPW0 END > Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG > STOP LAPW1 END > Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG > STOP LAPW1 END > ASAN:DEADLYSIGNAL > ================================================================= > ==50875==ERROR: AddressSanitizer: SEGV on unknown address 0x00088d7a3c70 (pc 0x7fffaca48086 bp 0x7fff56c4fff0 sp 0x7fff56c4fff0 T0) > #0 0x7fffaca48085 in APL_stbmvUTN_AVX (/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib+0xa5085) > #1 0x1090555ec in zlatd4_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lap_bp.f:4427 > #2 0x109051ece in zhhtr4_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lap_bp.f:3933 > #3 0x10905133f in zhhtrd_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lap_bp.f:4164 > #4 0x109068425 in zhhevx_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lap_bp.f:3244 > #5 0x1090032c6 in hmsec_ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/hmsec.F:790 > #6 0x10902750b in MAIN__ /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lapwso.F:592 > #7 0x109027b74 in main /Users/hugstr/src/WIEN2k_17alpha_20170920_1100/SRC_lapwso/lapwso.F:2 > #8 0x7fffc511b234 in start (/usr/lib/system/libdyld.dylib+0x5234) > #9 0x1 (<unknown module>) > > AddressSanitizer can not provide additional info. > SUMMARY: AddressSanitizer: SEGV (/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib+0xa5085) in APL_stbmvUTN_AVX > ==50875==ABORTING > > Program received signal SIGABRT: Process abort signal. > > Backtrace for this error: > #0 0x1092a8e26 > #1 0x1092a85ec > #2 0x7fffc532ab39 > > > stop error > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html