The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
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ShellPairsLibint2 segfaults during clean up and/or header mistake #18
First off libint2/shellpairs.h line 82 does not agree with constructor defined in shellpairs.cc line 61
If you fix the header to Ref then I get a segfault during the destructor call.
The program segfualts at shellpairs.cc line 78 while calling delete, my guess is this memory was already cleaned up somehow.
david_hack(56713,0x7fff7d80b310) malloc: * error for object 0x103386040: pointer being freed was not allocated
* set a breakpoint in malloc_error_break to debug
Process 56713 stopped
First off libint2/shellpairs.h line 82 does not agree with constructor defined in shellpairs.cc line 61
If you fix the header to Ref then I get a segfault during the destructor call.
The program segfualts at shellpairs.cc line 78 while calling delete, my guess is this memory was already cleaned up somehow.
david_hack(56713,0x7fff7d80b310) malloc: * error for object 0x103386040: pointer being freed was not allocated * set a breakpoint in malloc_error_break to debug Process 56713 stopped
__pthread_kill + 10, queue = 'com.apple.main-thread', stop reason = signal SIGABRT frame #0: 0x00007fff9a33f866 libsystem_kernel.dylibpthread_kill + 10 libsystem_kernel.dylib`pthread_kill + 10: -> 0x7fff9a33f866: jae 0x7fff9a33f870 ; __pthread_kill + 20 0x7fff9a33f868: movq %rax, %rdi 0x7fff9a33f86b: jmpq 0x7fff9a33c175 ; cerror_nocancel 0x7fff9a33f870: ret (lldb) bt__pthread_kill + 10 frame #1: 0x00007fff9279235c libsystem_pthread.dylibpthread_kill + 92 frame #2: 0x00007fff92bf3b1a libsystem_c.dylibabort + 125 frame #3: 0x00007fff95f6307f libsystem_malloc.dylibfree + 411 frame #4: 0x000000010036f44b david_hack~ShellPairsLibint2(this=0x00000001033842d0, vtt=<unavailable>) + 75 at shellpairs.cc:78 frame #5: 0x000000010036f295 david_hack~ShellPairsLibint2 [inlined] ~ShellPairsLibint2(this=0x00000001033842d0) + 12 at shellpairs.cc:77 frame #6: 0x000000010036f289 david_hack~ShellPairsLibint2(this=0x00000001033842d0) + 9 at shellpairs.cc:77 frame #7: 0x000000010038e269 david_hack~TwoBodyOSARLibint2 [inlined] sc::Refsc::ShellPairsLibint2::clear(this=0x0000000103363410) + 49 at ref.h:555 frame #8: 0x000000010038e238 david_hack~TwoBodyOSARLibint2 [inlined] ~Ref(this=0x0000000103363410) + 7 at ref.h:408 frame #9: 0x000000010038e231 david_hack~TwoBodyOSARLibint2 [inlined] ~vector(this=0x0000000103363410, this=~TwoBodyOSARLibint2(this=0x0000000103363320) + 673 at tbosar.h:422 frame #11: 0x000000010038bf5e david_hack~TwoBodyOSARLibint2 [inlined] ~TwoBodyOSARLibint2(this=0x0000000103363320) + 14 at tbosar.h:408 frame #12: 0x000000010038bf59 david_hack~TwoBodyOSARLibint2(this=0x0000000103363320) + 9 at tbosar.h:408 frame #13: 0x0000000100376857 david_hackBoundsLibint2 [inlined] sc::Refsc::TwoBodyOSARLibint2<(this=0x00000001019601f0)0 >::clear() + 44 at ref.h:555 frame #14: 0x000000010037682b david_hackBoundsLibint2 [inlined] ~Ref(this=0x00000001019601f0) + 11 at ref.h:408 frame #15: 0x0000000100376820 david_hackBoundsLibint2 [inlined] ~Ref(this=0x00000001019601f0) at ref.h:407 frame #16: 0x0000000100376820 david_hackBoundsLibint2(this=0x00000001033845e0, integral=0x0000000103313ef0, b1=<unavailable>, b2=<unavailable>, b3=0x0000000103313f18, b4=0x00007fff5fbfe848, storage=<unavailable>, params=<unavailable>) + 1216 at bounds.timpl.h:93 frame #17: 0x0000000100371bcd david_hackTwoBodyThreeCenterIntLibint2(this=0x000000010335b720, integral=0x0000000103313ef0, b1=0x0000000103313ef8, b2=0x00007fff5fbfe880, b3=0x0000000103313f18, storage=0, int2etype=ERI, params=sc::IntegralLibint2::electron_repulsion3(this=<unavailable>) + 197 at libint2.cc:399 frame #19: 0x00000001002fc1e3 david_hackmpqc::TA::ClDFGEngine::compute_symetric_df_ints(this=0x00007fff5fbff3c8) + 899 at cldfgengine.cpp:259 frame #20: 0x00000001002fb978 david_hack`mpqc::TA::ClDFGEngine::operator(this=0x00007fff5fbff3c8, v=