GROMACS version: 2019
GROMACS modification: Yes
I’ve been trying to build and run some benchmarks associated with the gromacs FMM electrostatics code (see: https://journals.sagepub.com/doi/full/10.1177/1094342020964857 and SPPEXA | Max Planck Institute for Biophysical Chemistry) by the Grubmüller group but I keep running into segfaults when I build using my standard options (which is the suggested method by the authors).
I was planning on contacting the authors for help, but before I did so, I was wondering if anyone else has had any issues trying to build this version and if they had any advice.
As an aside, does anyone know if/when FMM will become part of the standard gromacs package?