Again: Floating point exception (8) Floating point divide-by-zero (3)

Hi Paul,

Pulling an old thread here. I could run my jobs by fixing a patch for this but am curious, has this been fixed and released in Gromacs 2021 version? I think probably it is planned to be released as 2021.2 end of this month. It will be helpful to know (for common cluster computing installations). Thanks a lot for fixing it.


Hello Dave,

we are still looking into this. The issue is that the fix we have right now means we no longer follow the reference implementation for the gamma distribution from stdlibc++. One solution that is being explored now is replacing the code altogether with a different reference implementation that doesn’t run into those issues.



Thanks Paul.