cellsizes.h File Reference

#include <cstdint>
#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/timing/wallcycle.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"

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Description

Declares DD cell-size related functions.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::ArrayRef< typename >
	STL-like interface to a C array of T (or part of a std container of T). More...

Enumerations
enum	{ setcellsizeslbLOCAL, setcellsizeslbMAIN, setcellsizeslbPULSE_ONLY }
	Options for setting up a regular, possibly static load balanced, cell grid geometry. More...

Functions
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.
gmx::ArrayRef< const std::vector< real > >	set_dd_cell_sizes_slb (gmx_domdec_t *dd, const gmx_ddbox_t *ddbox, int setmode)
	Sets up an initial, non-staggered grid geometry, possibly using static load balancing. More...
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.

Enumeration Type Documentation

anonymous enum

Options for setting up a regular, possibly static load balanced, cell grid geometry.

Enumerator
setcellsizeslbLOCAL	Set cell sizes locally on each rank.
setcellsizeslbMAIN	Set cell sizes on main rank only.
setcellsizeslbPULSE_ONLY	Only set the communication pulses, not the cell sizes.

Function Documentation

gmx::ArrayRef<const std::vector<real> > set_dd_cell_sizes_slb	(	gmx_domdec_t *	dd,
		const gmx_ddbox_t *	ddbox,
		int	setmode
	)

Sets up an initial, non-staggered grid geometry, possibly using static load balancing.

The number of communication pulses per dimension is set in dd->numPulses. When setmode==setcellsizeslbMAIN, the cell boundaries per dimension are returned, otherwise an empty arrayref is returned.