Comments (2)
Yes, the parameter is nbatches
from the CellList constructor (see here).
Basically, the CellList
object has to be constructed passing the number of batches desired with:
julia> cl = CellList(x,box,nbatches=(1,4))
CellList{3, Float64}
1000000 real particles.
1000 cells with real particles.
1727449 particles in computing box, including images.
where (1,4)
are the number of batches that will be launched in the cell list construction step, and in the function computation step. Thus, for example, if you want to limit the number of batches used by CellListMap
to 4, you can use nbatches=(4,4)
. (The number of batches of the cell list construction step is better not be greater than more or less 8, because that step does not scale very well).
We call that batches
, because that is the nomenclature used by TKF in his implementations of parallelization. One important thing is that from start it is a good idea to decouple the number of batches from the effective number of threads (as it is now in CellListMap, you can also set nbatches > nthreads, and sometimes this is actually a good option for performance, particularly if the batches are not very homogeneous, when the faster batches end, new ones are launched and no processor gets idle).
from celllistmap.jl.
Great, thanks for that.
from celllistmap.jl.
Related Issues (20)
- Covert example to doc test HOT 1
- dealing with highly non-homogeneous systems HOT 6
- Error when creating PeriodicSystem with empty positions HOT 1
- Suggestion: Is it possible to output the coordinates and size of cells so one can visualize them? HOT 2
- Suggestion: In a transient simulation, based on the first time step, can I define a "box of interest"? HOT 2
- update!() fails with disperse coordinate points HOT 6
- Does the 'update_lists = false' option only apply to periodic systems? HOT 5
- Is it possible to store some historical information of pairs? HOT 26
- Neighborlists contain repeated elements HOT 4
- Make the high-level interface more flexible HOT 3
- InPlaceNeighborList() result is incorrect HOT 10
- Setting `nbatches` doesn't work HOT 1
- `limits(x, y)` requires arrays of the same type for no reason HOT 1
- Update previous cells instead of re-initializing all cells HOT 11
- CellListMap hangs HOT 9
- ReverseDiff gradients HOT 14
- CellListMap allocating too much memory HOT 13
- Difference from brute force HOT 6
- Computing virial and pressure HOT 6
- Removing periodic boundary conditions HOT 2
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from celllistmap.jl.