include/perf_est.h

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  38 #ifndef _perf_est_h
  39 #define _perf_est_h
  40 #include "visibility.h"
  41 #include "typedefs.h"
  42
  43 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 int n_bonded_dx(gmx_mtop_t *mtop, gmx_bool bExcl);
  48 /* Returns the number of pbc_rvec_sub calls required for bonded interactions.
  49  * This number is also roughly proportional to the computational cost.
  50  */
  51
  52 GMX_LIBMD_EXPORT
  53 float pme_load_estimate(gmx_mtop_t *mtop, t_inputrec *ir, matrix box);
  54 /* Returns an estimate for the relative load of the PME mesh calculation
  55  * in the total force calculation.
  56  * This estimate is reasonable for recent Intel and AMD x86_64 CPUs.
  57  */
  58
  59 #ifdef __cplusplus
  60 }
  61 #endif
  62
  63 #endif  /* _perf_est_h */