add note about porting legacy code to the new Grid3d/Grid2d classes
This commit is contained in:
@ -25,6 +25,7 @@ Available topics in mostly chronological order are:
|
||||
- `Simplified and more compact neighbor list requests`_
|
||||
- `Split of fix STORE into fix STORE/GLOBAL and fix STORE/PERATOM`_
|
||||
- `Use Output::get_dump_by_id() instead of Output::find_dump()`_
|
||||
- `Refactored grid communication using Grid3d/Grid2d classes instead of GridComm`_
|
||||
|
||||
----
|
||||
|
||||
@ -423,3 +424,56 @@ New:
|
||||
if (dumpflag) for (auto idump : dumplist) idump->write();
|
||||
|
||||
This change is **required** or else the code will not compile.
|
||||
|
||||
Refactored grid communication using Grid3d/Grid2d classes instead of GridComm
|
||||
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
|
||||
|
||||
.. versionchanged:: 22Dec2022
|
||||
|
||||
The ``GridComm`` class was for creating and communicating distributed
|
||||
grids was replaced by the ``Grid3d`` class with added functionality.
|
||||
A ``Grid2d`` class was also added for additional flexibility.
|
||||
|
||||
The new functionality and commands using the two grid classes are
|
||||
discussed on the following documentation pages:
|
||||
|
||||
- :doc:`Howto_grid`
|
||||
- :doc:`Developer_grid`
|
||||
|
||||
If you have custom LAMMPS code, which uses the GridComm class, here are some notes
|
||||
on how to adapt it for using the Grid3d class.
|
||||
|
||||
(1) The constructor has changed to allow the ``Grid3d`` / ``Grid2d``
|
||||
classes to partition the global grid across processors, both for
|
||||
owned and ghost grid cells. Previously any class which called
|
||||
``GridComm`` performed the partitioning itself and that information
|
||||
was passed in the ``GridComm::GridComm()`` constructor. There are
|
||||
several "set" functions which can be called to alter how ``Grid3d``
|
||||
/ ``Grid2d`` perform the partitioning. They should be sufficient
|
||||
for most use cases of the grid classes.
|
||||
|
||||
(2) The partitioning is triggered by the ``setup_grid()`` method.
|
||||
|
||||
(3) The ``setup()`` method of the ``GridComm`` class has been replaced
|
||||
by the ``setup_comm()`` method in the new grid classes. The syntax
|
||||
for the ``forward_comm()`` and ``reverse_comm()`` methods is
|
||||
slightly altered as is the syntax of the associated pack/unpack
|
||||
callback methods. But the functionality of these operations is the
|
||||
same as before.
|
||||
|
||||
(4) The new ``Grid3d`` / ``Grid2d`` classes have additional
|
||||
functionality for dynamic load-balancing of grids and their
|
||||
associated data across processors. This did not exist in the
|
||||
``GridComm`` class.
|
||||
|
||||
This and more is explained in detail on the :doc:`Developer_grid` page.
|
||||
The following LAMMPS source files can be used as illustrative examples
|
||||
for how the new grid classes are used by computes, fixes, and various
|
||||
KSpace solvers which use distributed FFT grids:
|
||||
|
||||
- ``src/fix_ave_grid.cpp``
|
||||
- ``src/compute_property_grid.cpp``
|
||||
- ``src/EXTRA-FIX/fix_ttm_grid.cpp``
|
||||
- ``src/KSPACE/pppm.cpp``
|
||||
|
||||
This change is **required** or else the code will not compile.
|
||||
|
||||
@ -1,5 +1,5 @@
|
||||
Distributed grids
|
||||
=================
|
||||
Using distributed grids
|
||||
=======================
|
||||
|
||||
.. versionadded:: TBD
|
||||
|
||||
|
||||
Reference in New Issue
Block a user