Re-enable GPU with walls and 1 energy group
commit8c463c4eb204a8c67fd55fb32e17e3c13816971f
authorBerk Hess <hess@kth.se>
Tue, 16 Jan 2018 14:13:08 +0000 (16 15:13 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 17 Jan 2018 09:14:06 +0000 (17 10:14 +0100)
treee75da8864b1afcde326b3b27a865bdc72b157f64
parentcbbe6979875942bedfbc9a7f25b18ecc3b8a78eb
Re-enable GPU with walls and 1 energy group

With a single non-bonded energy groups and walls we can use a GPU
for non-bonded calculations.

Change-Id: I95e72d6acc8852091bb269b350cdbf67f56e19fc
src/gromacs/mdlib/forcerec.cpp
src/programs/mdrun/runner.cpp