include/mpelogging.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
  16  * as published by the Free Software Foundation; either version 2
  17  * of the License, or (at your option) any later version.
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  19  * If you want to redistribute modifications, please consider that
  20  * scientific software is very special. Version control is crucial -
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  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 /* define USE_MPE if you want MPE logging
  36  *
  37  * you then need to link with the appropriate libraries
  38  * that come with the mpich distribution (can be found in the
  39  * mpe subdirectory */
  40 /* #define USE_MPE */
  41
  42 /* define BARRIERS if you want to have extra MPI_Barriers
  43  * in the code which might help analyzing the MPE logfiles
  44  */
  45 /* #define BARRIERS */
  46 #ifdef BARRIERS
  47 #define GMX_BARRIER(communicator) MPI_Barrier(communicator)
  48 #else
  49 #define GMX_BARRIER(communicator)
  50 #endif
  51
  52 #ifdef USE_MPE
  53 #define GMX_MPE_LOG(event) MPE_Log_event(event, 0, "")
  54 #else
  55 #define GMX_MPE_LOG(event)
  56 #endif
  57
  58 #ifdef USE_MPE
  59 #include "mpe.h"
  60      /* Define MPE logging events here */
  61      /* General events */
  62      int ev_timestep1,               ev_timestep2;
  63      int ev_ns_start,                ev_ns_finish;
  64      int ev_calc_bonds_start,        ev_calc_bonds_finish;
  65      int ev_send_coordinates_start,  ev_send_coordinates_finish;
  66      int ev_update_fr_start,         ev_update_fr_finish;
  67      int ev_clear_rvecs_start,       ev_clear_rvecs_finish;
  68      int ev_output_start,            ev_output_finish;
  69      int ev_update_start,            ev_update_finish;
  70      int ev_force_start,             ev_force_finish;
  71      int ev_do_fnbf_start,           ev_do_fnbf_finish;
  72      int ev_test_start,              ev_test_finish;
  73
  74      /* COM and enforced rotation pulling */
  75      int ev_flexll_start,            ev_flexll_finish;
  76      int ev_add_rot_forces_start,    ev_add_rot_forces_finish;
  77      int ev_forcecycles_start,       ev_forcecycles_finish;
  78      int ev_rotcycles_start,         ev_rotcycles_finish;
  79
  80      /* Shift related events*/
  81      int ev_shift_start,             ev_shift_finish;
  82      int ev_unshift_start,           ev_unshift_finish;
  83      int ev_mk_mshift_start,         ev_mk_mshift_finish;
  84
  85      /* PME related events */
  86      int ev_pme_start,               ev_pme_finish;
  87      int ev_spread_on_grid_start,    ev_spread_on_grid_finish;
  88      int ev_sum_qgrid_start,         ev_sum_qgrid_finish;
  89      int ev_gmxfft3d_start,          ev_gmxfft3d_finish;
  90      int ev_solve_pme_start,         ev_solve_pme_finish;
  91      int ev_gather_f_bsplines_start, ev_gather_f_bsplines_finish;
  92      int ev_reduce_start,            ev_reduce_finish;
  93      int ev_rscatter_start,          ev_rscatter_finish;
  94      int ev_alltoall_start,          ev_alltoall_finish;
  95      int ev_pmeredist_start,         ev_pmeredist_finish;
  96      int ev_init_pme_start,          ev_init_pme_finish;
  97      int ev_global_stat_start,       ev_global_stat_finish;
  98      int ev_sum_lrforces_start,      ev_sum_lrforces_finish;
  99      int ev_virial_start,            ev_virial_finish;
 100      int ev_sort_start,              ev_sort_finish;
 101      int ev_sum_qgrid_start,         ev_sum_qgrid_finish;
 102
 103      /* Essential dynamics related events */
 104      int ev_edsam_start,             ev_edsam_finish;
 105      int ev_get_coords_start,        ev_get_coords_finish;
 106      int ev_ed_apply_cons_start,     ev_ed_apply_cons_finish;
 107      int ev_fit_to_reference_start,  ev_fit_to_reference_finish;
 108 #endif