Merge branch 'master' into package-reorganization-step1

# Conflicts:
#	doc/src/Packages_details.rst
This commit is contained in:
Axel Kohlmeyer
2021-07-02 13:24:49 -04:00
22 changed files with 1003 additions and 35 deletions

View File

@ -19,6 +19,7 @@
#include "library.h"
#include <mpi.h>
#include "accelerator_kokkos.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
@ -333,8 +334,8 @@ The MPI standard requires that any MPI application calls
do any MPI calls, MPI is still initialized internally to avoid errors
accessing any MPI functions. This function should then be called right
before exiting the program to wait until all (parallel) tasks are
completed and then MPI is cleanly shut down. After this function no
more MPI calls may be made.
completed and then MPI is cleanly shut down. After calling this
function no more MPI calls may be made.
.. versionadded:: 18Sep2020
@ -353,6 +354,28 @@ void lammps_mpi_finalize()
}
}
/* ---------------------------------------------------------------------- */
/** Shut down the Kokkos library environment.
*
\verbatim embed:rst
The Kokkos library may only be initialized once during the execution of
a process. This is done automatically the first time Kokkos
functionality is used. This requires that the Kokkos environment
must be explicitly shut down after any LAMMPS instance using it is
closed (to release associated resources).
After calling this function no Kokkos functionality may be used.
.. versionadded:: TBD
\endverbatim */
void lammps_kokkos_finalize()
{
KokkosLMP::finalize();
}
// ----------------------------------------------------------------------
// Library functions to process commands
// ----------------------------------------------------------------------