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
   8  *
   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
  16  * as published by the Free Software Foundation; either version 2
  17  * of the License, or (at your option) any later version.
  18  *
  19  * If you want to redistribute modifications, please consider that
  20  * scientific software is very special. Version control is crucial -
  21  * bugs must be traceable. We will be happy to consider code for
  22  * inclusion in the official distribution, but derived work must not
  23  * be called official GROMACS. Details are found in the README & COPYING
  24  * files - if they are missing, get the official version at www.gromacs.org.
  25  *
  26  * To help us fund GROMACS development, we humbly ask that you cite
  27  * the papers on the package - you can find them in the top README file.
  28  *
  29  * For more info, check our website at http://www.gromacs.org
  30  *
  31  * And Hey:
  32  * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
  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 extern int n_bonded_dx(gmx_mtop_t *mtop,bool bExcl);
  45 /* Returns the number of pbc_rvec_sub calls required for bonded interactions.
  46  * This number is also roughly proportional to the computational cost.
  47  */
  48
  49 extern float pme_load_estimate(gmx_mtop_t *mtop,t_inputrec *ir,matrix box);
  50 /* Returns an estimate for the relative load of the PME mesh calculation
  51  * in the total force calculation.
  52  * This estimate is reasonable for recent Intel and AMD x86_64 CPUs.
  53  */
  54
  55 #endif  /* _perf_est_h */