nonbonded CPU kernel performance regression
Summary
Certain nonbonded kernel flavors regressed by >10% in the 2023 release. Specifically, AVX2 with Ewald force switch and potential switch when compiled with gcc are affected.
ARM / Aarch64 is also affected with both LLVM and gcc.
GROMACS version
2023
Steps to reproduce
Run mdrun using force switch or potential switch inputs and observe the performance counters or total performance.
Attached are tprs and log files obtained with gcc 11 on Zen2. gmx22-vs-23.tar.gz
Edited by Szilárd Páll