BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Berk Hess <hess@kth.se>
	Thu, 14 Nov 2019 08:07:22 +0000 (09:07 +0100)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Thu, 14 Nov 2019 15:41:36 +0000 (16:41 +0100)
commit	e44b37157f16c21f248da21f2604fb87f6c2ceb3
tree	1ebe0ceed228eb403a88c7850889b6204f07f2fa	tree \| snapshot
parent	cdaecfcfbca637e677d77230aedcf68310166bc9	commit \| diff

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		diff \| blob \| history
src/gromacs/domdec/domdec.h		diff \| blob \| history
src/gromacs/domdec/domdec_topology.cpp		diff \| blob \| history
src/gromacs/domdec/partition.cpp		diff \| blob \| history
src/gromacs/domdec/redistribute.cpp		diff \| blob \| history
src/gromacs/domdec/utility.h		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| history
src/gromacs/mdlib/forcerec.h		diff \| blob \| history
src/gromacs/mdlib/wall.cpp		diff \| blob \| history
src/gromacs/mdrun/runner.cpp		diff \| blob \| history
src/gromacs/mdtypes/forcerec.h		diff \| blob \| history
src/gromacs/nbnxm/atomdata.cpp		diff \| blob \| history
src/gromacs/nbnxm/atomdata.h		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_setup.cpp		diff \| blob \| history
src/gromacs/nbnxm/benchmark/bench_system.cpp		diff \| blob \| history

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