include/perf_est.h

   1 /*
   2  *
   3  *                This source code is part of
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   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
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   9  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  10  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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  12  * check out http://www.gromacs.org for more information.
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  14  * This program is free software; you can redistribute it and/or
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  34 #ifndef _perf_est_h
  35 #define _perf_est_h
  36
  37 #include "typedefs.h"
  38
  39 #ifdef __cplusplus
  40 extern "C" {
  41 #endif
  42
  43 int n_bonded_dx(gmx_mtop_t *mtop,gmx_bool bExcl);
  44 /* Returns the number of pbc_rvec_sub calls required for bonded interactions.
  45  * This number is also roughly proportional to the computational cost.
  46  */
  47
  48 float pme_load_estimate(gmx_mtop_t *mtop,t_inputrec *ir,matrix box);
  49 /* Returns an estimate for the relative load of the PME mesh calculation
  50  * in the total force calculation.
  51  * This estimate is reasonable for recent Intel and AMD x86_64 CPUs.
  52  */
  53
  54 #ifdef __cplusplus
  55 }
  56 #endif
  57
  58 #endif  /* _perf_est_h */