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Published 20 hours ago • verified publisher icon psi4

DETCI: Segfault or Garbage

Open JonathonMisiewicz opened this issue 2 years ago • 2 comments

The input described in this forum post segfaults during the integral transform on current master. (Confirmed on my laptop, after removing threading instructions and reducing memory to 4GB.)

The reporter does not observe a segfault, but instead garbage energies of -894017.081594656570815 Hartree for atomic Helium.

JonathonMisiewicz avatar May 02 '22 19:05 JonathonMisiewicz

On a related note, is building Psi4 with ASAN/UBSAN feasible? I mean it ought to work with the C++/Fortran code, but I don't know if Pybind et. al. is compatible.

TiborGY avatar May 20 '22 12:05 TiborGY

I've build psi4 proper with ASAN many times, but only used it do debug the C++ code.

hokru avatar May 20 '22 12:05 hokru