include/perf_est.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   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.
  11  * Copyright (c) 2001-2008, The GROMACS development team,
  12  * check out http://www.gromacs.org for more information.
  13
  14  * This program is free software; you can redistribute it and/or
  15  * modify it under the terms of the GNU General Public License
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  17  * of the License, or (at your option) any later version.
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  33  */
  34
  35 #ifdef HAVE_CONFIG_H
  36 #include <config.h>
  37 #endif
  38
  39 #ifndef _perf_est_h
  40 #define _perf_est_h
  41
  42 #include "typedefs.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48 extern int n_bonded_dx(gmx_mtop_t *mtop,bool bExcl);
  49 /* Returns the number of pbc_rvec_sub calls required for bonded interactions.
  50  * This number is also roughly proportional to the computational cost.
  51  */
  52
  53 extern 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 */