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Axel Kohlmeyer
2021-09-03 21:05:16 -04:00
parent a98ded7722
commit 5be4fb86ea
2 changed files with 7 additions and 9 deletions
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doc/src/Developer_parallel.rst
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@ -9,7 +9,6 @@ computational cost of enlarging the system is linear with the system
size). Additional parallelization using GPUs or OpenMP can then be size). Additional parallelization using GPUs or OpenMP can then be
applied within the sub-domain assigned to an MPI process. applied within the sub-domain assigned to an MPI process.
Partitioning Partitioning
^^^^^^^^^^^^ ^^^^^^^^^^^^
@ -23,12 +22,12 @@ and can be either "brick" (a regular grid) or "tiled".
LAMMPS domain decomposition LAMMPS domain decomposition
This figure shows the different kinds of domain decomposition used This figure shows the different kinds of domain decomposition used
for MPI parallelization: "brick" on the left with an orthogonal (top) for MPI parallelization: "brick" on the left with an orthogonal
and a triclinic (bottom) simulation domain, and "tiled" on the right. (left) and a triclinic (middle) simulation domain, and a "tiled"
The black lines show the division into sub-domains and the contained decomposition (right). The black lines show the division into
atoms are "owned" by the corresponding MPI process. The green dashed sub-domains and the contained atoms are "owned" by the corresponding
lines indicate how sub-domains are extended with "ghost" atoms up MPI process. The green dashed lines indicate how sub-domains are
to the communication cutoff distance. extended with "ghost" atoms up to the communication cutoff distance.
The LAMMPS simulation box is a 3d or 2d volume, which can be orthogonal The LAMMPS simulation box is a 3d or 2d volume, which can be orthogonal
or triclinic in shape, as illustrated in the :ref:`domain-decomposition` or triclinic in shape, as illustrated in the :ref:`domain-decomposition`
@ -103,4 +102,3 @@ Neighbor lists
Long-range interactions Long-range interactions
^^^^^^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^^^^^^

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