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39 #ifndef _pme_loadbal_h
40 #define _pme_loadbal_h
42 typedef struct pme_load_balancing *pme_load_balancing_t;
44 /* Initialze the PP-PME load balacing data and infrastructure */
45 void pme_loadbal_init(pme_load_balancing_t *pme_lb_p,
46 const t_inputrec *ir,matrix box,
47 const interaction_const_t *ic,
50 /* Try to adjust the PME grid and Coulomb cut-off.
51 * The adjustment is done to generate a different non-bonded PP and PME load.
52 * With separate PME nodes (PP and PME on different processes) or with
53 * a GPU (PP on GPU, PME on CPU), PP and PME run on different resources
54 * and changing the load will affect the load balance and performance.
55 * The total time for a set of integration steps is monitored and a range
56 * of grid/cut-off setups is scanned. After calling pme_load_balance many
57 * times and acquiring enough statistics, the best performing setup is chosen.
58 * Here we try to take into account fluctuations and changes due to external
59 * factors as well as DD load balancing.
60 * Returns TRUE the load balancing continues, FALSE is the balancing is done.
62 gmx_bool pme_load_balance(pme_load_balancing_t pme_lb,
69 interaction_const_t *ic,
70 nonbonded_verlet_t *nbv,
72 gmx_large_int_t step);
74 /* Restart the PME load balancing discarding all timings gathered up till now */
75 void restart_pme_loadbal(pme_load_balancing_t pme_lb, int n);
77 /* Finish the PME load balancing and print the settings when fplog!=NULL */
78 void pme_loadbal_done(pme_load_balancing_t pme_lb, FILE *fplog);
80 #endif /* _pme_loadbal_h */