Make the wait on PME GPU results conditional
authorSzilárd Páll <pall.szilard@gmail.com>
Tue, 10 Sep 2019 15:40:01 +0000 (17:40 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 30 Sep 2019 07:18:19 +0000 (09:18 +0200)
commit889b6f9ad1a21a91e894d83a9acd40f8df9c388c
treef526ca8a4d7fcacc93bcf12e485a660918c76473
parent7d1386e219bda3f19e1aa74735e49310a8fd6466
Make the wait on PME GPU results conditional

When the PME forces are reduced on-GPU and no energy/virial output is
produced, we can avoid blocking waiting on the CPU for the PME GPU
taks to complete.

This however would break the timing accounting which needs to happen
after PME tasks completed. Hence the accounting is moved to the PME
output clearing.

Refs #3029, #2817

Change-Id: I4e7f3aa43754a187fe5d6b584803444967516958
src/gromacs/ewald/pme_gpu.cpp