src/gromacs/legacyheaders/perf_est.h

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  37 #ifndef _perf_est_h
  38 #define _perf_est_h
  39
  40 #include "gromacs/legacyheaders/types/inputrec.h"
  41 #include "gromacs/math/vectypes.h"
  42 #include "gromacs/utility/basedefinitions.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48 struct gmx_mtop_t;
  49
  50 void count_bonded_distances(struct gmx_mtop_t *mtop, const t_inputrec *ir,
  51                             double *ndistance_c, double *ndistance_simd);
  52 /* Count the number of distance calculations in bonded interactions,
  53  * separately for plain-C and SIMD bonded functions.
  54  * The computational cost is nearly proportional to the numbers.
  55  * It is allowed to pass NULL for the last two arguments.
  56  */
  57
  58 float pme_load_estimate(struct gmx_mtop_t *mtop, t_inputrec *ir, matrix box);
  59 /* Returns an estimate for the relative load of the PME mesh calculation
  60  * in the total force calculation.
  61  * This estimate is reasonable for recent Intel and AMD x86_64 CPUs.
  62  */
  63
  64 #ifdef __cplusplus
  65 }
  66 #endif
  67
  68 #endif  /* _perf_est_h */