Gromacs
2019-rc1
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#include <vector>
#include "gromacs/math/vectypes.h"
#include "gromacs/timing/wallcycle.h"
#include "gromacs/utility/arrayref.h"
Declares DD cell-size related functions.
Enumerations | |
enum | { setcellsizeslbLOCAL, setcellsizeslbMASTER, 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, ivec numPulses) |
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_t wcycle) |
General cell size adjustment, possibly applying dynamic load balancing. | |
anonymous enum |
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.
The number of communication pulses per dimension is returned in numPulses. When setmode==setcellsizeslbMASTER, the cell boundaries per dimension are returned, otherwise an empty arrayref is returned.