#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/timing/wallcycle.h"
Declares DD cell-size related functions.
- Author
- Berk Hess hess@.nosp@m.kth..nosp@m.se
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real | grid_jump_limit (const gmx_domdec_comm_t *comm, real cutoff, int dim_ind) |
| Returns the minimum allowed distance between lower and upper bounds of zones along dimension dim_ind.
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gmx::ArrayRef< const
std::vector< real > > | set_dd_cell_sizes_slb (gmx_domdec_t *dd, const gmx_ddbox_t *ddbox, int setmode, ivec numPulses) |
| Sets up an initial, non-staggered grid geometry, possibly using static load balancing. More...
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void | set_dd_cell_sizes (gmx_domdec_t *dd, const gmx_ddbox_t *ddbox, gmx_bool bDynamicBox, gmx_bool bUniform, gmx_bool bDoDLB, int64_t step, gmx_wallcycle *wcycle) |
| General cell size adjustment, possibly applying dynamic load balancing.
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Options for setting up a regular, possibly static load balanced, cell grid geometry.
Enumerator |
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setcellsizeslbLOCAL |
Set cell sizes locally on each rank.
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setcellsizeslbMAIN |
Set cell sizes on main rank only.
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setcellsizeslbPULSE_ONLY |
Only set the communication pulses, not the cell sizes.
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gmx::ArrayRef<const std::vector<real> > set_dd_cell_sizes_slb |
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gmx_domdec_t * |
dd, |
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const gmx_ddbox_t * |
ddbox, |
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int |
setmode, |
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ivec |
numPulses |
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Sets up an initial, non-staggered grid geometry, possibly using static load balancing.
The number of communication pulses per dimension is returned in numPulses. When setmode==setcellsizeslbMAIN, the cell boundaries per dimension are returned, otherwise an empty arrayref is returned.