diff --git a/src/USER-OMP/pair_tip4p_cut_omp.cpp b/src/USER-OMP/pair_tip4p_cut_omp.cpp index 536d63366e..9c2d5a79e5 100644 --- a/src/USER-OMP/pair_tip4p_cut_omp.cpp +++ b/src/USER-OMP/pair_tip4p_cut_omp.cpp @@ -101,7 +101,7 @@ void PairTIP4PCutOMP::compute(int eflag, int vflag) loop_setup_thr(ifrom, ito, tid, inum, nthreads); ThrData *thr = fix->get_thr(tid); - thr->timer(ThrData::TIME_START); + thr->timer(Timer::START); ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr); if (evflag) { @@ -114,7 +114,7 @@ void PairTIP4PCutOMP::compute(int eflag, int vflag) } } else eval<0,0,0>(ifrom, ito, thr); - thr->timer(ThrData::TIME_PAIR); + thr->timer(Timer::PAIR); reduce_thr(this, eflag, vflag, thr); } // end of omp parallel region } diff --git a/src/USER-OMP/pair_tip4p_long_omp.cpp b/src/USER-OMP/pair_tip4p_long_omp.cpp index 808f24c20e..1fc08de021 100644 --- a/src/USER-OMP/pair_tip4p_long_omp.cpp +++ b/src/USER-OMP/pair_tip4p_long_omp.cpp @@ -101,7 +101,7 @@ void PairTIP4PLongOMP::compute(int eflag, int vflag) loop_setup_thr(ifrom, ito, tid, inum, nthreads); ThrData *thr = fix->get_thr(tid); - thr->timer(ThrData::TIME_START); + thr->timer(Timer::START); ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr); if (!ncoultablebits) { @@ -126,7 +126,7 @@ void PairTIP4PLongOMP::compute(int eflag, int vflag) } else eval<0,0,0,0>(ifrom, ito, thr); } - thr->timer(ThrData::TIME_PAIR); + thr->timer(Timer::PAIR); reduce_thr(this, eflag, vflag, thr); } // end of omp parallel region } @@ -156,9 +156,7 @@ void PairTIP4PLongOMP::eval(int iifrom, int iito, ThrData * const thr) dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0]; const double * _noalias const q = atom->q; const int * _noalias const type = atom->type; - const int nlocal = atom->nlocal; const double * _noalias const special_coul = force->special_coul; - const double * _noalias const special_lj = force->special_lj; const double qqrd2e = force->qqrd2e; const double cut_coulsqplus = (cut_coul+2.0*qdist) * (cut_coul+2.0*qdist);