Velocities and forces for selections.
[gromacs/qmmm-gamess-us.git] / include / gmx_wallcycle.h
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36 #ifndef _gmx_wallcycle_h
37 #define _gmx_wallcycle_h
39 #include <stdio.h>
40 #include "typedefs.h"
42 #ifdef __cplusplus
43 extern "C" {
44 #endif
46 enum { ewcRUN, ewcSTEP, ewcPPDURINGPME, ewcDOMDEC, ewcDDCOMMLOAD, ewcDDCOMMBOUND, ewcVSITECONSTR, ewcPP_PMESENDX, ewcMOVEX, ewcNS, ewcGB, ewcFORCE, ewcMOVEF, ewcPMEMESH, ewcPME_REDISTXF, ewcPME_SPREADGATHER, ewcPME_FFT, ewcPME_SOLVE, ewcPMEWAITCOMM, ewcPP_PMEWAITRECVF, ewcVSITESPREAD, ewcTRAJ, ewcUPDATE, ewcCONSTR, ewcMoveE, ewcTEST, ewcNR };
48 extern bool wallcycle_have_counter(void);
49 /* Returns if cycle counting is supported */
51 extern gmx_wallcycle_t wallcycle_init(FILE *fplog,int resetstep,t_commrec *cr);
52 /* Returns the wall cycle structure.
53 * Returns NULL when cycle counting is not supported.
56 extern void wallcycle_start(gmx_wallcycle_t wc, int ewc);
57 /* Set the start cycle count for ewc */
59 extern double wallcycle_stop(gmx_wallcycle_t wc, int ewc);
60 /* Stop the cycle count for ewc, returns the last cycle count */
62 extern void wallcycle_reset_all(gmx_wallcycle_t wc);
63 /* Resets all cycle counters to zero */
65 extern void wallcycle_sum(t_commrec *cr, gmx_wallcycle_t wc,double cycles[]);
66 /* Sum the cycles over the nodes in cr->mpi_comm_mysim */
68 extern void wallcycle_print(FILE *fplog, int nnodes, int npme, double realtime,
69 gmx_wallcycle_t wc, double cycles[]);
70 /* Print the cycle and time accounting */
72 extern gmx_large_int_t wcycle_get_reset_counters(gmx_wallcycle_t wc);
73 /* Return reset_counters from wc struct */
75 extern void wcycle_set_reset_counters(gmx_wallcycle_t wc, gmx_large_int_t reset_counters);
76 /* Set reset_counters */
78 #ifdef __cplusplus
80 #endif
82 #endif /* _gmx_wallcycle_h */