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32 * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
40 /* define USE_MPE if you want MPE logging
42 * you then need to link with the appropriate libraries
43 * that come with the mpich distribution (can be found in the
47 /* define BARRIERS if you want to have extra MPI_Barriers
48 * in the code which might help analyzing the MPE logfiles
50 /* #define BARRIERS */
52 #define GMX_BARRIER(communicator) MPI_Barrier(communicator)
54 #define GMX_BARRIER(communicator)
58 #define GMX_MPE_LOG(event) MPE_Log_event(event, 0, "")
60 #define GMX_MPE_LOG(event)
65 /* Define MPE logging events here */
67 int ev_timestep1
, ev_timestep2
;
68 int ev_ns_start
, ev_ns_finish
;
69 int ev_calc_bonds_start
, ev_calc_bonds_finish
;
70 int ev_send_coordinates_start
, ev_send_coordinates_finish
;
71 int ev_update_fr_start
, ev_update_fr_finish
;
72 int ev_clear_rvecs_start
, ev_clear_rvecs_finish
;
73 int ev_output_start
, ev_output_finish
;
74 int ev_update_start
, ev_update_finish
;
75 int ev_force_start
, ev_force_finish
;
76 int ev_do_fnbf_start
, ev_do_fnbf_finish
;
78 /* Shift related events*/
79 int ev_shift_start
, ev_shift_finish
;
80 int ev_unshift_start
, ev_unshift_finish
;
81 int ev_mk_mshift_start
, ev_mk_mshift_finish
;
83 /* PME related events */
84 int ev_pme_start
, ev_pme_finish
;
85 int ev_spread_on_grid_start
, ev_spread_on_grid_finish
;
86 int ev_sum_qgrid_start
, ev_sum_qgrid_finish
;
87 int ev_gmxfft3d_start
, ev_gmxfft3d_finish
;
88 int ev_solve_pme_start
, ev_solve_pme_finish
;
89 int ev_gather_f_bsplines_start
, ev_gather_f_bsplines_finish
;
90 int ev_reduce_start
, ev_reduce_finish
;
91 int ev_rscatter_start
, ev_rscatter_finish
;
92 int ev_alltoall_start
, ev_alltoall_finish
;
93 int ev_pmeredist_start
, ev_pmeredist_finish
;
94 int ev_init_pme_start
, ev_init_pme_finish
;
95 int ev_global_stat_start
, ev_global_stat_finish
;
96 int ev_sum_lrforces_start
, ev_sum_lrforces_finish
;
97 int ev_virial_start
, ev_virial_finish
;
98 int ev_sort_start
, ev_sort_finish
;
99 int ev_sum_qgrid_start
, ev_sum_qgrid_finish
;
101 /* Essential dynamics related events */
102 int ev_edsam_start
, ev_edsam_finish
;
103 int ev_get_group_x_start
, ev_get_group_x_finish
;
104 int ev_ed_apply_cons_start
, ev_ed_apply_cons_finish
;
105 int ev_fit_to_reference_start
, ev_fit_to_reference_finish
;