| commit | b35147fdfe4c6a6a62f635691d871886d7783cea | |
| author | M. Eric Irrgang <ericirrgang@gmail.com> | |
| Sat, 26 Sep 2020 09:54:32 +0000 (26 12:54 +0300) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 29 Sep 2020 06:09:40 +0000 (29 06:09 +0000) | ||
| tree | b4edfb81ee95e27763e7f6935c888990f83d5473 | treesnapshot (tar.gz zip) |
| parent | e6650c000e5e243fea99649ceec47864d07ccc0a | commitdiff |
Interface updates allowing client to provide MPI communicator.
gmxapi::MpiContextManager is acquired earlier in API initialization
and has a larger role in setting up the SimulationContext as a member
of gmxapi::ContextImpl. The MpiContextManager can be acquired with
appropriate default values for the various MPI-related GROMACS build
variants, or it can be initialized with user-provided resources.
gmxapi::Context creation method has been updated to accept optional
non-default resources from the client.
A template header helps MPI-enabled client code to provide resources
to createContext(). The client requires minimal awareness of whether
GROMACS was built for thread-MPI or an installed MPI library.
Thread-MPI details are isolated from any translation unit that might
include the client MPI tool chain.
Refs #3644
gmxapi::MpiContextManager is acquired earlier in API initialization
and has a larger role in setting up the SimulationContext as a member
of gmxapi::ContextImpl. The MpiContextManager can be acquired with
appropriate default values for the various MPI-related GROMACS build
variants, or it can be initialized with user-provided resources.
gmxapi::Context creation method has been updated to accept optional
non-default resources from the client.
A template header helps MPI-enabled client code to provide resources
to createContext(). The client requires minimal awareness of whether
GROMACS was built for thread-MPI or an installed MPI library.
Thread-MPI details are isolated from any translation unit that might
include the client MPI tool chain.
Refs #3644