Unverified Commit 08a5a05e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

reduce compiler warnings in KOKKOS version of USER-DPD code

parent 1939a9e6

src/KOKKOS/fix_eos_table_rx_kokkos.cpp

+2 −2
Original line number Diff line number Diff line
@@ -98,7 +98,7 @@ FixEOStableRXKokkos<DeviceType>::~FixEOStableRXKokkos() 
/* ---------------------------------------------------------------------- */



template<class DeviceType>

void FixEOStableRXKokkos<DeviceType>::setup(int vflag)

void FixEOStableRXKokkos<DeviceType>::setup(int /*vflag*/)

{

  if (update_table)

    create_kokkos_tables();
@@ -411,7 +411,7 @@ void FixEOStableRXKokkos<DeviceType>::temperature_lookup(int id, double ui, doub 
/* ---------------------------------------------------------------------- */



template<class DeviceType>

int FixEOStableRXKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)

int FixEOStableRXKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int /*pbc_flag*/, int * /*pbc*/)

{

  int ii,jj,m;

  HAT::t_efloat_1d h_uChem = atomKK->k_uChem.h_view;

src/KOKKOS/fix_rx_kokkos.cpp

+39 −38
Original line number Diff line number Diff line
@@ -387,8 +387,7 @@ void FixRxKokkos<DeviceType>::k_rkf45_step (const int neq, const double h, Vecto 
template <typename DeviceType>

  template <typename VectorType, typename UserDataType>

KOKKOS_INLINE_FUNCTION

int FixRxKokkos<DeviceType>::k_rkf45_h0

                    (const int neq, const double t, const double t_stop,

int FixRxKokkos<DeviceType>::k_rkf45_h0 (const int neq, const double t, const double /*t_stop*/,

                                         const double hmin, const double hmax,

                                         double& h0, VectorType& y, VectorType& rwk, UserDataType& userData) const

{
@@ -707,8 +706,7 @@ void FixRxKokkos<DeviceType>::rkf45_step (const int neq, const double h, double 
}



template <typename DeviceType>

int FixRxKokkos<DeviceType>::rkf45_h0

                    (const int neq, const double t, const double t_stop,

int FixRxKokkos<DeviceType>::rkf45_h0(const int neq, const double t, const double /*t_stop*/,

                                      const double hmin, const double hmax,

                                      double& h0, double y[], double rwk[], void* v_params) const

{
@@ -920,7 +918,7 @@ int FixRxKokkos<DeviceType>::rhs(double t, const double *y, double *dydt, void * 
/* ---------------------------------------------------------------------- */



template <typename DeviceType>

int FixRxKokkos<DeviceType>::rhs_dense(double t, const double *y, double *dydt, void *params) const

int FixRxKokkos<DeviceType>::rhs_dense(double /*t*/, const double *y, double *dydt, void *params) const

{

  UserRHSData *userData = (UserRHSData *) params;
@@ -959,7 +957,7 @@ int FixRxKokkos<DeviceType>::rhs_dense(double t, const double *y, double *dydt, 
/* ---------------------------------------------------------------------- */



template <typename DeviceType>

int FixRxKokkos<DeviceType>::rhs_sparse(double t, const double *y, double *dydt, void *v_params) const

int FixRxKokkos<DeviceType>::rhs_sparse(double /*t*/, const double *y, double *dydt, void *v_params) const

{

   UserRHSData *userData = (UserRHSData *) v_params;
@@ -1068,7 +1066,7 @@ int FixRxKokkos<DeviceType>::k_rhs(double t, const VectorType& y, VectorType& dy 
template <typename DeviceType>

  template <typename VectorType, typename UserDataType>

KOKKOS_INLINE_FUNCTION

int FixRxKokkos<DeviceType>::k_rhs_dense(double t, const VectorType& y, VectorType& dydt, UserDataType& userData) const

int FixRxKokkos<DeviceType>::k_rhs_dense(double /*t*/, const VectorType& y, VectorType& dydt, UserDataType& userData) const

{

  #define rxnRateLaw (userData.rxnRateLaw)

  #define kFor       (userData.kFor      )
@@ -1110,7 +1108,7 @@ int FixRxKokkos<DeviceType>::k_rhs_dense(double t, const VectorType& y, VectorTy 
template <typename DeviceType>

  template <typename VectorType, typename UserDataType>

KOKKOS_INLINE_FUNCTION

int FixRxKokkos<DeviceType>::k_rhs_sparse(double t, const VectorType& y, VectorType& dydt, UserDataType& userData) const

int FixRxKokkos<DeviceType>::k_rhs_sparse(double /*t*/, const VectorType& y, VectorType& dydt, UserDataType& userData) const

{

   #define kFor         (userData.kFor)

   #define kRev         (NULL)
@@ -1430,7 +1428,7 @@ void FixRxKokkos<DeviceType>::operator()(Tag_FixRxKokkos_solveSystems<ZERO_RATES 
/* ---------------------------------------------------------------------- */



template <typename DeviceType>

void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreForce)

void FixRxKokkos<DeviceType>::solve_reactions(const int /*vflag*/, const bool isPreForce)

{

  //printf("Inside FixRxKokkos<DeviceType>::solve_reactions localTempFlag= %d isPreForce= %s\n", localTempFlag, isPreForce ? "True" : "false");
@@ -1439,7 +1437,7 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF 
  if (update_kinetics_data)

    create_kinetics_data();



  TimerType timer_start = getTimeStamp();

  //TimerType timer_start = getTimeStamp();



  //const int nlocal = atom->nlocal;

  this->nlocal = atom->nlocal;
@@ -1463,28 +1461,31 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF 
    const int neighflag = lmp->kokkos->neighflag;



#define _template_switch(_wtflag, _localTempFlag) {                               \

       if (neighflag == HALF) \

          if (newton_pair) \

      if (neighflag == HALF) {                                                    \

        if (newton_pair) {                                                        \

          computeLocalTemperature<_wtflag, _localTempFlag, true , HALF> ();       \

          else \

        } else {                                                                  \

          computeLocalTemperature<_wtflag, _localTempFlag, false, HALF> ();       \

       else if (neighflag == HALFTHREAD) \

          if (newton_pair) \

        }                                                                         \

      } else if (neighflag == HALFTHREAD) {                                       \

        if (newton_pair) {                                                        \

          computeLocalTemperature<_wtflag, _localTempFlag, true , HALFTHREAD> (); \

          else \

        } else {                                                                  \

          computeLocalTemperature<_wtflag, _localTempFlag, false, HALFTHREAD> (); \

       else if (neighflag == FULL) \

          if (newton_pair) \

        }                                                                         \

      } else if (neighflag == FULL) {                                             \

        if (newton_pair)  {                                                       \

          computeLocalTemperature<_wtflag, _localTempFlag, true , FULL> ();       \

          else \

        } else {                                                                  \

          computeLocalTemperature<_wtflag, _localTempFlag, false, FULL> ();       \

        }                                                                         \

      }                                                                           \

    }



    // Are there is no other options than wtFlag = (0)LUCY and localTempFlag = NONE : HARMONIC?

    if (localTempFlag == HARMONIC) {

      _template_switch(LUCY, HARMONIC)

    }

    else {

    } else {

      _template_switch(LUCY, NONE)

    }

#undef _template_switch
@@ -1674,7 +1675,7 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF 


  atomKK->modified ( Host, DVECTOR_MASK );



  TimerType timer_stop = getTimeStamp();

  //TimerType timer_stop = getTimeStamp();



  double time_ODE = getElapsedTime(timer_localTemperature, timer_ODE);
@@ -2032,7 +2033,7 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature() 
    const int ntypes = atom->ntypes;



    //memoryKK->create_kokkos (k_cutsq, h_cutsq, ntypes+1, ntypes+1, "pair:cutsq");

    if (ntypes+1 > k_cutsq.extent(0)) {

    if (ntypes+1 > (int) k_cutsq.extent(0)) {

      memoryKK->destroy_kokkos (k_cutsq);

      memoryKK->create_kokkos (k_cutsq, ntypes+1, ntypes+1, "FixRxKokkos::k_cutsq");

      d_cutsq = k_cutsq.template view<DeviceType>();
@@ -2053,7 +2054,7 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature() 
  int sumWeightsCt = nlocal + (NEWTON_PAIR ? nghost : 0);



  //memoryKK->create_kokkos (k_sumWeights, sumWeights, sumWeightsCt, "FixRxKokkos::sumWeights");

  if (sumWeightsCt > k_sumWeights.template view<DeviceType>().extent(0)) {

  if (sumWeightsCt > (int)k_sumWeights.template view<DeviceType>().extent(0)) {

    memoryKK->destroy_kokkos(k_sumWeights, sumWeights);

    memoryKK->create_kokkos (k_sumWeights, sumWeightsCt, "FixRxKokkos::sumWeights");

    d_sumWeights = k_sumWeights.template view<DeviceType>();
@@ -2196,7 +2197,7 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature() 
/* ---------------------------------------------------------------------- */



template <typename DeviceType>

int FixRxKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)

int FixRxKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int /*pbc_flag*/, int * /*pbc*/)

{

  //printf("inside FixRxKokkos::pack_forward_comm %d\n", comm->me);

src/KOKKOS/fix_shardlow_kokkos.cpp

+2 −2
Original line number Diff line number Diff line
@@ -562,7 +562,7 @@ void FixShardlowKokkos<DeviceType>::ssa_update_dpde( 




template<class DeviceType>

void FixShardlowKokkos<DeviceType>::initial_integrate(int vflag)

void FixShardlowKokkos<DeviceType>::initial_integrate(int /*vflag*/)

{

  d_numneigh = k_list->d_numneigh;

  d_neighbors = k_list->d_neighbors;
@@ -716,7 +716,7 @@ void FixShardlowKokkos<DeviceType>::operator()(TagFixShardlowSSAUpdateDPDEGhost< 
/* ---------------------------------------------------------------------- */



template<class DeviceType>

int FixShardlowKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int pbc_flag, int *pbc)

int FixShardlowKokkos<DeviceType>::pack_forward_comm(int n, int *list, double *buf, int /*pbc_flag*/, int * /*pbc*/)

{

  int ii,jj,m;

src/KOKKOS/nbin_ssa_kokkos.cpp

+1 −1
Original line number Diff line number Diff line
@@ -67,7 +67,7 @@ NBinSSAKokkos<DeviceType>::NBinSSAKokkos(LAMMPS *lmp) : NBinStandard(lmp) 
/* ---------------------------------------------------------------------- */



template<class DeviceType>

void NBinSSAKokkos<DeviceType>::bin_atoms_setup(int nall)

void NBinSSAKokkos<DeviceType>::bin_atoms_setup(int /*nall*/)

{

  if (mbins > (int) k_bins.h_view.extent(0)) {

    k_bins = DAT::tdual_int_2d("NBinSSAKokkos::bins",mbins,atoms_per_bin);

src/KOKKOS/pair_exp6_rx_kokkos.cpp

+15 −16
Original line number Diff line number Diff line
@@ -140,7 +140,7 @@ void PairExp6rxKokkos<DeviceType>::init_style() 
template<class DeviceType>

void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)

{

  TimerType t_start = getTimeStamp();

  //TimerType t_start = getTimeStamp();



  copymode = 1;
@@ -185,7 +185,7 @@ void PairExp6rxKokkos<DeviceType>::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();

  //TimerType t_mix_start = getTimeStamp();

  {

     const int np_total = nlocal + atom->nghost;
@@ -258,7 +258,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
       error->all(FLERR,"Computed fraction less than -10*DBL_EPSILON");

#endif

  }

  TimerType t_mix_stop = getTimeStamp();

  //TimerType t_mix_stop = getTimeStamp();



  k_error_flag.template modify<DeviceType>();

  k_error_flag.template sync<LMPHostType>();
@@ -1568,27 +1568,26 @@ void PairExp6rxKokkos<DeviceType>::vectorized_operator(const int &ii, EV_FLOAT& 
    {

      const int j = neigh_j[jlane] & NEIGHMASK;



      if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal))

        if (UseAtomics)

      if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) {

        if (UseAtomics) {

          a_uCG(j) += 0.5*evdwlOld_j[jlane];

        else

        } else {

          t_uCG(tid,j) += 0.5*evdwlOld_j[jlane];



      if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal))

        if (UseAtomics)

        }

      }

      if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) {

        if (UseAtomics) {

          a_uCGnew(j) += uCGnew_j[jlane];

        else

        } else {

          t_uCGnew(tid,j) += uCGnew_j[jlane];



        }

      }

      if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) {

        if (UseAtomics)

        {

        if (UseAtomics) {

          a_f(j,0) -= delx_j[jlane]*fpair_j[jlane];

          a_f(j,1) -= dely_j[jlane]*fpair_j[jlane];

          a_f(j,2) -= delz_j[jlane]*fpair_j[jlane];

        }

        else

        {

        } else {

          t_f(tid,j,0) -= delx_j[jlane]*fpair_j[jlane];

          t_f(tid,j,1) -= dely_j[jlane]*fpair_j[jlane];

          t_f(tid,j,2) -= delz_j[jlane]*fpair_j[jlane];

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