Merge branch 'master' into package-reorganization-step1
# Conflicts: # doc/src/Packages_details.rst
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@ -19,6 +19,7 @@
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#include "library.h"
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#include <mpi.h>
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#include "accelerator_kokkos.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "comm.h"
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@ -333,8 +334,8 @@ The MPI standard requires that any MPI application calls
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do any MPI calls, MPI is still initialized internally to avoid errors
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accessing any MPI functions. This function should then be called right
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before exiting the program to wait until all (parallel) tasks are
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completed and then MPI is cleanly shut down. After this function no
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more MPI calls may be made.
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completed and then MPI is cleanly shut down. After calling this
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function no more MPI calls may be made.
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.. versionadded:: 18Sep2020
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@ -353,6 +354,28 @@ void lammps_mpi_finalize()
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}
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}
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/* ---------------------------------------------------------------------- */
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/** Shut down the Kokkos library environment.
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*
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\verbatim embed:rst
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The Kokkos library may only be initialized once during the execution of
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a process. This is done automatically the first time Kokkos
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functionality is used. This requires that the Kokkos environment
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must be explicitly shut down after any LAMMPS instance using it is
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closed (to release associated resources).
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After calling this function no Kokkos functionality may be used.
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.. versionadded:: TBD
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\endverbatim */
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void lammps_kokkos_finalize()
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{
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KokkosLMP::finalize();
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}
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// ----------------------------------------------------------------------
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// Library functions to process commands
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// ----------------------------------------------------------------------
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