Simplify t_forcerec destruction
commite44b37157f16c21f248da21f2604fb87f6c2ceb3
authorBerk Hess <hess@kth.se>
Thu, 14 Nov 2019 08:07:22 +0000 (14 09:07 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 14 Nov 2019 15:41:36 +0000 (14 16:41 +0100)
tree1ebe0ceed228eb403a88c7850889b6204f07f2fa
parentcdaecfcfbca637e677d77230aedcf68310166bc9
Simplify t_forcerec destruction

Destruction of t_forcerec was, without need, done in two steps with
complicated dependencies using the functions free_gpu_resources()
and done_forcerec().
Now only the destructor is used. To make this work, cginfo_mb and
nbfp in t_forcerec needed to be converted to std::vector.

Change-Id: I836bcdbd52b03834d4f2661475247fc56b907518
16 files changed:
src/gromacs/domdec/domdec.cpp
src/gromacs/domdec/domdec.h
src/gromacs/domdec/domdec_topology.cpp
src/gromacs/domdec/partition.cpp
src/gromacs/domdec/redistribute.cpp
src/gromacs/domdec/utility.h
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/mdlib/forcerec.cpp
src/gromacs/mdlib/forcerec.h
src/gromacs/mdlib/wall.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/mdtypes/forcerec.h
src/gromacs/nbnxm/atomdata.cpp
src/gromacs/nbnxm/atomdata.h
src/gromacs/nbnxm/benchmark/bench_setup.cpp
src/gromacs/nbnxm/benchmark/bench_system.cpp