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#ifndef _pme_loadbal_h
#define _pme_loadbal_h
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+#include "gromacs/legacyheaders/types/commrec_fwd.h"
+#include "gromacs/legacyheaders/types/forcerec.h"
+#include "gromacs/legacyheaders/types/inputrec.h"
+#include "gromacs/legacyheaders/types/interaction_const.h"
+#include "gromacs/legacyheaders/types/state.h"
+
typedef struct pme_load_balancing *pme_load_balancing_t;
/* Initialze the PP-PME load balacing data and infrastructure */
void pme_loadbal_init(pme_load_balancing_t *pme_lb_p,
- const t_inputrec *ir,matrix box,
- const interaction_const_t *ic,
- gmx_pme_t pmedata);
+ const t_inputrec *ir, matrix box,
+ const interaction_const_t *ic,
+ gmx_pme_t pmedata);
/* Try to adjust the PME grid and Coulomb cut-off.
* The adjustment is done to generate a different non-bonded PP and PME load.
* factors as well as DD load balancing.
* Returns TRUE the load balancing continues, FALSE is the balancing is done.
*/
-gmx_bool pme_load_balance(pme_load_balancing_t pme_lb,
- t_commrec *cr,
- FILE *fp_err,
- FILE *fp_log,
- t_inputrec *ir,
- t_state *state,
- double cycles,
- interaction_const_t *ic,
- nonbonded_verlet_t *nbv,
- gmx_pme_t *pmedata,
- gmx_large_int_t step);
+gmx_bool pme_load_balance(pme_load_balancing_t pme_lb,
+ t_commrec *cr,
+ FILE *fp_err,
+ FILE *fp_log,
+ t_inputrec *ir,
+ t_state *state,
+ double cycles,
+ interaction_const_t *ic,
+ struct nonbonded_verlet_t *nbv,
+ gmx_pme_t *pmedata,
+ gmx_int64_t step);
/* Restart the PME load balancing discarding all timings gathered up till now */
void restart_pme_loadbal(pme_load_balancing_t pme_lb, int n);
/* Finish the PME load balancing and print the settings when fplog!=NULL */
-void pme_loadbal_done(pme_load_balancing_t pme_lb, FILE *fplog);
+void pme_loadbal_done(pme_load_balancing_t pme_lb,
+ t_commrec *cr, FILE *fplog,
+ gmx_bool bNonBondedOnGPU);
+
+#ifdef __cplusplus
+}
+#endif
#endif /* _pme_loadbal_h */
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff