Home
last modified time | relevance | path

Searched refs:ddpme (Results 1 – 3 of 3) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/
H A Dcellsizes.cpp61 gmx_ddpme_t* ddpme, in set_pme_maxshift() argument
73 nc = dd->numCells[ddpme->dim]; in set_pme_maxshift()
74 ns = ddpme->nslab; in set_pme_maxshift()
76 if (!ddpme->dim_match) in set_pme_maxshift()
91 xmin = ddpme->pp_min; in set_pme_maxshift()
92 xmax = ddpme->pp_max; in set_pme_maxshift()
123 ddpme->maxshift = sh; in set_pme_maxshift()
127 … fprintf(debug, "PME slab communication range for dim %d is %d\n", ddpme->dim, ddpme->maxshift); in set_pme_maxshift()
320 ddRankSetup.ddpme[d].slb_dim_f); in set_dd_cell_sizes_slb()
718 rowMaster->cellFrac[pos++] = ddRankSetup.ddpme[0].maxshift; in set_dd_cell_sizes_dlb_root()
[all …]
H A Ddomdec.cpp925 ddpme->dim = YY; in init_ddpme()
929 ddpme->dim = dimind; in init_ddpme()
931 ddpme->dim_match = (ddpme->dim == dd->dim[dimind]); in init_ddpme()
933 ddpme->nslab = (ddpme->dim == 0 ? ddRankSetup.npmenodes_x : ddRankSetup.npmenodes_y); in init_ddpme()
935 if (ddpme->nslab <= 1) in init_ddpme()
942 snew(ddpme->pp_min, ddpme->nslab); in init_ddpme()
943 snew(ddpme->pp_max, ddpme->nslab); in init_ddpme()
947 ddpme->pp_max[slab] = 0; in init_ddpme()
968 ddpme->pp_min[slab] = std::min(ddpme->pp_min[slab], xyz[dimind]); in init_ddpme()
969 ddpme->pp_max[slab] = std::max(ddpme->pp_max[slab], xyz[dimind]); in init_ddpme()
[all …]
H A Ddomdec_internal.h526 gmx_ddpme_t ddpme[2]; member