diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp index 0988cb4910..d96e9f3f65 100644 --- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp +++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp @@ -17,9 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_exp6_rx_kokkos.h" -#include -#include #include "atom.h" #include "comm.h" #include "force.h" @@ -28,12 +26,14 @@ #include "memory_kokkos.h" #include "error.h" #include "fix.h" -#include #include "atom_masks.h" #include "neigh_request.h" #include "atom_kokkos.h" #include "kokkos.h" +#include +#include +#include #ifdef _OPENMP #include @@ -57,22 +57,6 @@ using namespace MathSpecialKokkos; #define exp6PotentialType (1) #define isExp6PotentialType(_type) ( (_type) == exp6PotentialType ) -namespace /* anonymous */ -{ - -//typedef double TimerType; -//TimerType getTimeStamp(void) { return platform::walltime(); } -//double getElapsedTime( const TimerType &t0, const TimerType &t1) { return t1-t0; } - -typedef struct timespec TimerType; -TimerType getTimeStamp(void) { TimerType tick; clock_gettime( CLOCK_MONOTONIC, &tick); return tick; } -double getElapsedTime( const TimerType &t0, const TimerType &t1) -{ - return (t1.tv_sec - t0.tv_sec) + 1e-9*(t1.tv_nsec - t0.tv_nsec); -} - -} // end namespace - /* ---------------------------------------------------------------------- */ template @@ -142,8 +126,6 @@ void PairExp6rxKokkos::init_style() template void PairExp6rxKokkos::compute(int eflag_in, int vflag_in) { - //TimerType t_start = getTimeStamp(); - copymode = 1; eflag = eflag_in; @@ -187,7 +169,6 @@ void PairExp6rxKokkos::compute(int eflag_in, int vflag_in) // and ghost atoms. Make the parameter data persistent // and exchange like any other atom property later. - //TimerType t_mix_start = getTimeStamp(); { const int np_total = nlocal + atom->nghost; @@ -260,7 +241,6 @@ void PairExp6rxKokkos::compute(int eflag_in, int vflag_in) error->all(FLERR,"Computed fraction less than -10*DBL_EPSILON"); #endif } - //TimerType t_mix_stop = getTimeStamp(); k_error_flag.template modify(); k_error_flag.template sync(); @@ -377,9 +357,6 @@ void PairExp6rxKokkos::compute(int eflag_in, int vflag_in) } copymode = 0; - - //TimerType t_stop = getTimeStamp(); - //printf("PairExp6rxKokkos::compute %f %f\n", getElapsedTime(t_start, t_stop), getElapsedTime(t_mix_start, t_mix_stop)); } template