Debugging further NaNs #32
Description
@peastman: @ThWuensche mentioned in the slack:
With the new version that issue is fixed, but unfortunately with 13424 I get NaNs further on in the runs, later than before though. I captured a few WUs and will run them on local openMM (FoldingAtHome/openmm and peastman/openmm) this evening
I have tried 13424(2186,46,2) locally with current FoldingAtHome/openmm and it works. However through F@H it failed with particle coordinate nan at step 2007. Can you find something in the logs that would explain that difference? Actually the behaviour on F@H looks similar to what we had before both patches, but it's quite unlikely that the patches are missing.
It seems likely that we must still be missing some bugfixes that appear in 7.5.0 but not in this patched 7.4.2. I'll try a quick core22 test build from openmm/openmm master right now to see if we can verify this is the case.