/usr/include/gromacs/mpelogging.h is in gromacs-dev 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 | /*
* This file is part of the GROMACS molecular simulation package.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2008, The GROMACS development team,
* check out http://www.gromacs.org for more information.
* Copyright (c) 2012,2013, by the GROMACS development team, led by
* David van der Spoel, Berk Hess, Erik Lindahl, and including many
* others, as listed in the AUTHORS file in the top-level source
* directory and at http://www.gromacs.org.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
*
* GROMACS is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public
* License along with GROMACS; if not, see
* http://www.gnu.org/licenses, or write to the Free Software Foundation,
* Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*
* If you want to redistribute modifications to GROMACS, please
* consider that scientific software is very special. Version
* control is crucial - bugs must be traceable. We will be happy to
* consider code for inclusion in the official distribution, but
* derived work must not be called official GROMACS. Details are found
* in the README & COPYING files - if they are missing, get the
* official version at http://www.gromacs.org.
*
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
#ifdef __cplusplus
extern "C" {
#endif
/* define USE_MPE if you want MPE logging
*
* you then need to link with the appropriate libraries
* that come with the mpich distribution (can be found in the
* mpe subdirectory */
/* #define USE_MPE */
/* define BARRIERS if you want to have extra MPI_Barriers
* in the code which might help analyzing the MPE logfiles
*/
/* #define BARRIERS */
#ifdef BARRIERS
#define GMX_BARRIER(communicator) MPI_Barrier(communicator)
#else
#define GMX_BARRIER(communicator)
#endif
#ifdef USE_MPE
#define GMX_MPE_LOG(event) MPE_Log_event(event, 0, "")
#else
#define GMX_MPE_LOG(event)
#endif
#ifdef USE_MPE
#include <mpe.h>
/* Define MPE logging events here */
/* General events */
int ev_timestep1, ev_timestep2;
int ev_ns_start, ev_ns_finish;
int ev_calc_bonds_start, ev_calc_bonds_finish;
int ev_send_coordinates_start, ev_send_coordinates_finish;
int ev_update_fr_start, ev_update_fr_finish;
int ev_clear_rvecs_start, ev_clear_rvecs_finish;
int ev_output_start, ev_output_finish;
int ev_update_start, ev_update_finish;
int ev_force_start, ev_force_finish;
int ev_do_fnbf_start, ev_do_fnbf_finish;
/* Shift related events*/
int ev_shift_start, ev_shift_finish;
int ev_unshift_start, ev_unshift_finish;
int ev_mk_mshift_start, ev_mk_mshift_finish;
/* PME related events */
int ev_pme_start, ev_pme_finish;
int ev_spread_on_grid_start, ev_spread_on_grid_finish;
int ev_sum_qgrid_start, ev_sum_qgrid_finish;
int ev_gmxfft3d_start, ev_gmxfft3d_finish;
int ev_solve_pme_start, ev_solve_pme_finish;
int ev_gather_f_bsplines_start, ev_gather_f_bsplines_finish;
int ev_reduce_start, ev_reduce_finish;
int ev_rscatter_start, ev_rscatter_finish;
int ev_alltoall_start, ev_alltoall_finish;
int ev_pmeredist_start, ev_pmeredist_finish;
int ev_init_pme_start, ev_init_pme_finish;
int ev_global_stat_start, ev_global_stat_finish;
int ev_sum_lrforces_start, ev_sum_lrforces_finish;
int ev_virial_start, ev_virial_finish;
int ev_sort_start, ev_sort_finish;
int ev_sum_qgrid_start, ev_sum_qgrid_finish;
/* Essential dynamics related events */
int ev_edsam_start, ev_edsam_finish;
int ev_get_group_x_start, ev_get_group_x_finish;
int ev_ed_apply_cons_start, ev_ed_apply_cons_finish;
int ev_fit_to_reference_start, ev_fit_to_reference_finish;
#endif
#ifdef __cplusplus
}
#endif
|