C++ ThrData类代码示例

本文整理汇总了C++中ThrData类的典型用法代码示例。如果您正苦于以下问题：C++ ThrData类的具体用法？C++ ThrData怎么用？C++ ThrData使用的例子？那么恭喜您, 这里精选的类代码示例或许可以为您提供帮助。

在下文中一共展示了ThrData类的15个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。

示例1: ev_init

void PairDPDOMP::compute(int eflag, int vflag)
{
  ev_init(eflag,vflag);

  const int nall = atom->nlocal + atom->nghost;
  const int inum = list->inum;

  // number of threads has changed. reallocate pool of pRNGs
  if (nthreads != comm->nthreads) {
    if (random_thr) {
      for (int i=1; i < nthreads; ++i)
        delete random_thr[i];

      delete[] random_thr;
    }

    nthreads = comm->nthreads;
    random_thr = new RanMars*[nthreads];
    for (int i=1; i < nthreads; ++i)
      random_thr[i] = NULL;

    // to ensure full compatibility with the serial DPD style
    // we use the serial random number generator instance for thread 0
    random_thr[0] = random;
  }

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    // generate a random number generator instance for
    // all threads != 0. make sure we use unique seeds.
    if ((tid > 0) && (random_thr[tid] == NULL))
      random_thr[tid] = new RanMars(Pair::lmp, seed + comm->me
                                    + comm->nprocs*tid);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:lammps，项目名称:lammps，代码行数:60，代码来源:pair_dpd_omp.cpp

示例2: ev_init

void AngleDipoleOMP::compute(int eflag, int vflag)
{
  ev_init(eflag,vflag);

  if (!force->newton_bond)
    error->all(FLERR,"'newton' flag for bonded interactions must be 'on'");

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = neighbor->nanglelist;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (inum > 0) {
      if (evflag)
        eval<1>(ifrom, ito, thr);
      else
        eval<0>(ifrom, ito, thr);
    }
    thr->timer(Timer::BOND);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region

}

开发者ID:lammps，项目名称:lammps，代码行数:33，代码来源:angle_dipole_omp.cpp

示例3: omp_times

void omp_times(FixOMP *fix, const char *label, enum Timer::ttype which,
                      const int nthreads,FILE *scr, FILE *log)
{
  const char fmt[] = "%-8s|%- 12.5g|%- 12.5g|%- 12.5g|%6.1f |%6.2f\n";
  double time_min, time_max, time_avg, time_total, time_std;

  time_min =  1.0e100;
  time_max = -1.0e100;
  time_total = time_avg = time_std = 0.0;

  for (int i=0; i < nthreads; ++i) {
    ThrData *thr = fix->get_thr(i);
    double tmp=thr->get_time(which);
    time_min = MIN(time_min,tmp);
    time_max = MAX(time_max,tmp);
    time_avg += tmp;
    time_std += tmp*tmp;
    time_total += thr->get_time(Timer::ALL);
  }

  time_avg /= nthreads;
  time_std /= nthreads;
  time_total /= nthreads;

  if (time_avg > 1.0e-10)
    time_std = sqrt(time_std/time_avg - time_avg)*100.0;
  else
    time_std = 0.0;

  if (scr) fprintf(scr,fmt,label,time_min,time_avg,time_max,time_std,
                   time_avg/time_total*100.0);
  if (log) fprintf(log,fmt,label,time_min,time_avg,time_max,time_std,
                   time_avg/time_total*100.0);
}

开发者ID:albapa，项目名称:lammps，代码行数:34，代码来源:finish.cpp

示例4: ev_setup

void PairEDIPOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = vflag_atom = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (vflag_atom) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (vflag_atom) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else eval<0,0,0>(ifrom, ito, thr);

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:35，代码来源:pair_edip_omp.cpp

示例5: defined

void PairLJCutTIP4PLongSoftOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) ev_setup(eflag,vflag);
  else evflag = vflag_fdotr = 0;

  const int nlocal = atom->nlocal;
  const int nall = nlocal + atom->nghost;

  // reallocate hneigh_thr & newsite_thr if necessary
  // initialize hneigh_thr[0] to -1 on steps when reneighboring occurred
  // initialize hneigh_thr[2] to 0 every step

  if (atom->nmax > nmax) {
    nmax = atom->nmax;
    memory->destroy(hneigh_thr);
    memory->create(hneigh_thr,nmax,"pair:hneigh_thr");
    memory->destroy(newsite_thr);
    memory->create(newsite_thr,nmax,"pair:newsite_thr");
  }

  int i;
  // tag entire list as completely invalid after a neighbor
  // list update, since that can change the order of atoms.
  if (neighbor->ago == 0)
    for (i = 0; i < nall; i++) hneigh_thr[i].a = -1;

  // indicate that the coordinates for the M point need to
  // be updated. this needs to be done in every step.
  for (i = 0; i < nall; i++) hneigh_thr[i].t = 0;

  const int nthreads = comm->nthreads;
  const int inum = list->inum;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (vflag) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (vflag) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else eval<0,0,0>(ifrom, ito, thr);

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:58，代码来源:pair_lj_cut_tip4p_long_soft_omp.cpp

示例6: ev_setup

void PairHbondDreidingMorseOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

  if (!hbcount_thr) {
    hbcount_thr = new double[nthreads];
    hbeng_thr = new double[nthreads];
  }

  for (int i=0; i < nthreads; ++i) {
    hbcount_thr[i] = 0.0;
    hbeng_thr[i] = 0.0;
  }

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region

  // reduce per thread hbond data
  if (eflag_global) {
    pvector[0] = 0.0;
    pvector[1] = 0.0;
    for (int i=0; i < nthreads; ++i) {
      pvector[0] += hbcount_thr[i];
      pvector[1] += hbeng_thr[i];
    }
  }
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:58，代码来源:pair_hbond_dreiding_morse_omp.cpp

示例7: ev_setup

void PairADPOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;

  const int nlocal = atom->nlocal;
  const int nall = nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

  // grow energy and fp arrays if necessary
  // need to be atom->nmax in length

  if (atom->nmax > nmax) {
    memory->destroy(rho);
    memory->destroy(fp);
    memory->destroy(mu);
    memory->destroy(lambda);
    nmax = atom->nmax;
    memory->create(rho,nthreads*nmax,"pair:rho");
    memory->create(fp,nmax,"pair:fp");
    memory->create(mu,nthreads*nmax,3,"pair:mu");
    memory->create(lambda,nthreads*nmax,6,"pair:lambda");
  }

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
    
    if (force->newton_pair)
      thr->init_adp(nall, rho, mu, lambda);
    else
      thr->init_adp(nlocal, rho, mu, lambda);

    if (evflag) {
      if (eflag) {
	if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
	else eval<1,1,0>(ifrom, ito, thr);
      } else {
	if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
	else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:Polyun，项目名称:LIGGGHTS-PUBLIC，代码行数:57，代码来源:pair_adp_omp.cpp

示例8: ev_setup

void PairDPDTstatOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

  if (!random_thr)
    random_thr = new RanMars*[nthreads];

  // to ensure full compatibility with the serial DPD style
  // we use is random number generator instance for thread 0
  random_thr[0] = random;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    // generate a random number generator instance for
    // all threads != 0. make sure we use unique seeds.
    if (random_thr && tid > 0)
      random_thr[tid] = new RanMars(Pair::lmp, seed + comm->me
                                    + comm->nprocs*tid);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:milfeld，项目名称:lammps，代码行数:51，代码来源:pair_dpd_tstat_omp.cpp

示例9: defined

PPPMOMP::~PPPMOMP()
{
#if defined(_OPENMP)
#pragma omp parallel default(none)
#endif
  {
#if defined(_OPENMP)
    const int tid = omp_get_thread_num();
#else
    const int tid = 0;
#endif
    ThrData *thr = fix->get_thr(tid);
    thr->init_pppm(-order,memory);
  }
}

开发者ID:dboemer，项目名称:lammps，代码行数:15，代码来源:pppm_omp.cpp

示例10: ev_setup

void PairPeriLPSOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = eflag_global = eflag_atom = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

  // grow bond forces array if necessary

  if (atom->nmax > nmax) {
    memory->destroy(s0_new);
    memory->destroy(theta);
    nmax = atom->nmax;
    memory->create(s0_new,nmax,"pair:s0_new");
    memory->create(theta,nmax,"pair:theta");
  }

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:48，代码来源:pair_peri_lps_omp.cpp

示例11: ev_setup

void PairMEAMSplineOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = eflag_global = vflag_global = eflag_atom = vflag_atom = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = listfull->inum;

  if (listhalf->inum != inum)
    error->warning(FLERR,"inconsistent half and full neighborlist");

  // Grow per-atom array if necessary.

  if (atom->nmax > nmax) {
    memory->destroy(Uprime_values);
    nmax = atom->nmax;
    memory->create(Uprime_values,nmax*nthreads,"pair:Uprime");
  }

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    thr->init_eam(nall,Uprime_values);

    if (evflag) {
      if (eflag) {
        eval<1,1>(ifrom, ito, thr);
      } else {
        eval<1,0>(ifrom, ito, thr);
      }
    } else {
      eval<0,0>(ifrom, ito, thr);
    }

    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:FranciscoHG，项目名称:lammps，代码行数:46，代码来源:pair_meam_spline_omp.cpp

示例12: defined

void PPPMCGOMP::compute(int eflag, int vflag)
{

  PPPMCG::compute(eflag,vflag);

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
#if defined(_OPENMP)
    const int tid = omp_get_thread_num();
#else
    const int tid = 0;
#endif
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:Clockwork-Sphinx，项目名称:lammps，代码行数:19，代码来源:pppm_cg_omp.cpp

示例13: ev_setup

void PairLJCutCoulMSMOMP::compute(int eflag, int vflag)
{
  if (force->kspace->scalar_pressure_flag)
    error->all(FLERR,"Must use 'kspace_modify pressure/scalar no' "
      "with OMP MSM Pair styles");

  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) eval<1,1,1>(ifrom, ito, thr);
        else eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) eval<1,0,1>(ifrom, ito, thr);
        else eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) eval<0,0,1>(ifrom, ito, thr);
      else eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:Clockwork-Sphinx，项目名称:lammps，代码行数:42，代码来源:pair_lj_cut_coul_msm_omp.cpp

示例14: ev_setup

void PairGaussOMP::compute(int eflag, int vflag)
{
  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = vflag_fdotr = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = list->inum;
  double occ = 0.0;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag) reduction(+:occ)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (evflag) {
      if (eflag) {
        if (force->newton_pair) occ = eval<1,1,1>(ifrom, ito, thr);
        else occ = eval<1,1,0>(ifrom, ito, thr);
      } else {
        if (force->newton_pair) occ = eval<1,0,1>(ifrom, ito, thr);
        else occ = eval<1,0,0>(ifrom, ito, thr);
      }
    } else {
      if (force->newton_pair) occ = eval<0,0,1>(ifrom, ito, thr);
      else occ = eval<0,0,0>(ifrom, ito, thr);
    }

    thr->timer(Timer::PAIR);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region

  if (eflag_global) pvector[0] = occ;
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:41，代码来源:pair_gauss_omp.cpp

示例15: ev_setup

void DihedralHarmonicOMP::compute(int eflag, int vflag)
{

  if (eflag || vflag) {
    ev_setup(eflag,vflag);
  } else evflag = 0;

  const int nall = atom->nlocal + atom->nghost;
  const int nthreads = comm->nthreads;
  const int inum = neighbor->ndihedrallist;

#if defined(_OPENMP)
#pragma omp parallel default(none) shared(eflag,vflag)
#endif
  {
    int ifrom, ito, tid;

    loop_setup_thr(ifrom, ito, tid, inum, nthreads);
    ThrData *thr = fix->get_thr(tid);
    thr->timer(Timer::START);
    ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);

    if (inum > 0) {
      if (evflag) {
        if (eflag) {
          if (force->newton_bond) eval<1,1,1>(ifrom, ito, thr);
          else eval<1,1,0>(ifrom, ito, thr);
        } else {
          if (force->newton_bond) eval<1,0,1>(ifrom, ito, thr);
          else eval<1,0,0>(ifrom, ito, thr);
        }
      } else {
        if (force->newton_bond) eval<0,0,1>(ifrom, ito, thr);
        else eval<0,0,0>(ifrom, ito, thr);
      }
    }
    thr->timer(Timer::BOND);
    reduce_thr(this, eflag, vflag, thr);
  } // end of omp parallel region
}

开发者ID:jjjalkanen，项目名称:lammps，代码行数:40，代码来源:dihedral_harmonic_omp.cpp

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