This commit is contained in:
Axel Kohlmeyer
2022-12-01 10:36:12 -05:00
parent 6d4cb38d1f
commit dbfc5c74ce
3 changed files with 32 additions and 13 deletions

View File

@ -26,9 +26,9 @@ grid.
More specifically, a grid point is defined for each cell (by default
the center point), and a processor owns a grid cell if its point is
within the processor's spatial subdomain. The union of processor
subdomains is the global simulation box. If a grid point is on the
boundary of two subdomains, the lower processor owns the grid cell. A
within the processor's spatial sub-domain. The union of processor
sub-domains is the global simulation box. If a grid point is on the
boundary of two sub-domains, the lower processor owns the grid cell. A
processor may also store copies of ghost cells which surround its
owned cells.
@ -60,7 +60,7 @@ y-dimension. It is even possible to define a 1x1x1 3d grid, though it
may be inefficient to use it in a computational sense.
Note that the choice of grid size is independent of the number of
processors or their layout in a grid of processor subdomains which
processors or their layout in a grid of processor sub-domains which
overlays the simulations domain. Depending on the distributed grid
size, a single processor may own many 1000s or no grid cells.
@ -233,7 +233,7 @@ invoked, because they influence its operation.
void set_zfactor(double factor);
Processors own a grid cell if a point within the grid cell is inside
the processor's subdomain. By default this is the center point of the
the processor's sub-domain. By default this is the center point of the
grid cell. The *set_shift_grid()* method can change this. The *shift*
argument is a value from 0.0 to 1.0 (inclusive) which is the offset of
the point within the grid cell in each dimension. The default is 0.5
@ -243,9 +243,9 @@ typically no need to change the default as it is optimal for
minimizing the number of ghost cells needed.
If a processor maps its particles to grid cells, it needs to allow for
its particles being outside its subdomain between reneighboring. The
its particles being outside its sub-domain between reneighboring. The
*distance* argument of the *set_distance()* method sets the furthest
distance outside a processor's subdomain which a particle can move.
distance outside a processor's sub-domain which a particle can move.
Typically this is half the neighbor skin distance, assuming
reneighboring is done appropriately. This distance is used in
determining how many ghost cells a processor needs to store to enable
@ -293,7 +293,7 @@ to the Grid class via the *set_zfactor()* method (*set_yfactor()* for
2d grids). The Grid class will then assign ownership of the 1/3 of
grid cells that overlay the simulation box to the processors which
also overlay the simulation box. The remaining 2/3 of the grid cells
are assigned to processors whose subdomains are adjacent to the upper
are assigned to processors whose sub-domains are adjacent to the upper
z boundary of the simulation box.
----------
@ -547,13 +547,13 @@ Grid class remap methods for load balancing
The following methods are used when a load-balancing operation,
triggered by the :doc:`balance <balance>` or :doc:`fix balance
<fix_balance>` commands, changes the partitioning of the simulation
domain into processor subdomains.
domain into processor sub-domains.
In order to work with load-balancing, any style command (compute, fix,
pair, or kspace style) which allocates a grid and stores per-grid data
should define a *reset_grid()* method; it takes no arguments. It will
be called by the two balance commands after they have reset processor
subdomains and migrated atoms (particles) to new owning processors.
sub-domains and migrated atoms (particles) to new owning processors.
The *reset_grid()* method will typically perform some or all of the
following operations. See the src/fix_ave_grid.cpp and
src/EXTRA_FIX/fix_ttm_grid.cpp files for examples of *reset_grid()*
@ -562,7 +562,7 @@ functions.
First, the *reset_grid()* method can instantiate new grid(s) of the
same global size, then call *setup_grid()* to partition them via the
new processor subdomains. At this point, it can invoke the
new processor sub-domains. At this point, it can invoke the
*identical()* method which compares the owned and ghost grid cell
index bounds between two grids, the old grid passed as a pointer
argument, and the new grid whose *identical()* method is being called.
@ -577,7 +577,7 @@ the command can simply delete the old data array(s) and grid
instance(s). It can then return.
If the grid data does need to persist, then the data for each grid
needs to be "remapped" from the old grld partitioning to the new grid
needs to be "remapped" from the old grid partitioning to the new grid
partitioning. The *setup_remap()* and *remap()* methods are used for
that purpose.

View File

@ -66,7 +66,7 @@ Syntax
* style = *atom* or *atom/adios* or *atom/gz* or *atom/zstd* or *atom/mpiio* or *cfg* or *cfg/gz* or *cfg/zstd* or *cfg/mpiio* or *cfg/uef* or *custom* or *custom/gz* or *custom/zstd* or *custom/mpiio* or *custom/adios* or *dcd* or *grid* or *grid/vtk* or *h5md* or *image* or *local* or *local/gz* or *local/zstd* or *molfile* or *movie* or *netcdf* or *netcdf/mpiio* or *vtk* or *xtc* or *xyz* or *xyz/gz* or *xyz/zstd* or *xyz/mpiio* or *yaml*
* N = dump on timesteps which are multiples of N
* file = name of file to write dump info to
* attribute1,filel2,... = list of attributes for a particular style
* attribute1,attribute2,... = list of attributes for a particular style
.. parsed-literal::

View File

@ -412,6 +412,7 @@ cdennist
cdof
ceil
Ceil
cekk
centerline
centro
centroid
@ -470,6 +471,7 @@ Cij
cis
civ
CKD
ckk
Clang
clearstore
Cleary
@ -559,6 +561,8 @@ Coulombic
Coulombics
counterion
counterions
CountI
CountN
Courant
covalent
covalently
@ -1240,6 +1244,7 @@ Glosli
Glotzer
gmail
gmake
gmap
gmask
Gmask
GMock
@ -1439,6 +1444,7 @@ ieni
ifdefs
iff
ifort
ihi
Ihle
ij
ijk
@ -1449,6 +1455,7 @@ ilabel
Ilie
ilmenau
Ilmenau
ilo
ilp
Ilya
im
@ -1550,6 +1557,8 @@ Iw
Iwers
iwyu
ixcm
ixhi
ixlo
ixx
Ixx
ixy
@ -2388,6 +2397,7 @@ nlayers
nlen
nlines
Nlines
nlist
nlo
nlocal
Nlocal
@ -2517,11 +2527,15 @@ Nwait
nwchem
nx
Nx
nxlo
nxnodes
Nxyz
ny
Ny
nylo
nz
Nz
nzlo
ocl
octahedral
octants
@ -2590,6 +2604,8 @@ overlayed
Ovito
oxdna
oxDNA
oxhi
oxlo
oxrna
oxRNA
packings
@ -2657,6 +2673,7 @@ Peng
peptide
peratom
Pergamon
pergrid
peri
peridynamic
Peridynamic
@ -3370,6 +3387,8 @@ Sugaku
Suhai
Sukumaran
Sulc
SumI
SumN
sumsq
Sunderland
supercell