Gigantic CG system crashes
Summary
Starting a simulation for a (very) large coarse-grained system results in errors
GROMACS version
In earlier versions of GROMACS (2018.4), starting a large box of CG water beads would lead to mdrun segfaults. Starting with more recent versions, we now instead produce error messages about "soft core potential (sc-r-power=48 is no longer supported)".
Steps to reproduce
Since this requires a very large input file, I will upload a tarball we got from Groningen to our CephFS file system. If anybody external would need access, let me know and we'll arrange a Google download link.