GPU codepath cycle counting fixes
authorSzilárd Páll <pall.szilard@gmail.com>
Tue, 10 Nov 2020 12:33:23 +0000 (12:33 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Tue, 10 Nov 2020 12:33:23 +0000 (12:33 +0000)
commitb80b7a327b1e8faeb5041021b08df26909b79f67
treee2be1ad75b3b0c5aaf44614bb11d1af7b9dbefe9
parent6439b168ba629eaadee5a6c8c68ad9c5aa3ce0ed
GPU codepath cycle counting fixes

* eliminated double-counting in bonded module initialization
* moved the bonded kernel launch counting into the gpuBoned module
* avoid counting ~0 CPU update work on the GPU path by conditionally
starting the ewcUPDATE counter
* also added some minimal improvements to the wallcycle debugging
tooling which should facilitate finding invalid nesting and missing
stop calls.

Refs #3764
src/gromacs/listed_forces/gpubondedkernels.cu
src/gromacs/mdlib/sim_util.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/timing/wallcycle.cpp