Commit 033b07fd authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #363 from ibaned/obey-datamask 

Fix GPU sync bugs
parents f8506fee 2a6f5e65

src/KOKKOS/angle_charmm_kokkos.cpp

+0 −3
Original line number Diff line number Diff line
@@ -84,9 +84,6 @@ void AngleCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
    }

  }



  if (eflag || vflag) atomKK->modified(execution_space,datamask_modify);

  else atomKK->modified(execution_space,F_MASK);



  x = atomKK->k_x.view<DeviceType>();

  f = atomKK->k_f.view<DeviceType>();

  neighborKK->k_anglelist.template sync<DeviceType>();

src/KOKKOS/bond_fene_kokkos.cpp

+0 −3
Original line number Diff line number Diff line
@@ -85,13 +85,10 @@ void BondFENEKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
    d_vatom = k_vatom.d_view;

  }



  atomKK->sync(execution_space,datamask_read);

  k_k.template sync<DeviceType>();

  k_r0.template sync<DeviceType>();

  k_epsilon.template sync<DeviceType>();

  k_sigma.template sync<DeviceType>();

  if (eflag || vflag) atomKK->modified(execution_space,datamask_modify);

  else atomKK->modified(execution_space,F_MASK);



  x = atomKK->k_x.view<DeviceType>();

  f = atomKK->k_f.view<DeviceType>();

src/KOKKOS/dihedral_charmm_kokkos.cpp

+0 −5
Original line number Diff line number Diff line
@@ -98,11 +98,6 @@ void DihedralCharmmKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
    }

  }





  //atomKK->sync(execution_space,datamask_read);

  if (eflag || vflag) atomKK->modified(execution_space,datamask_modify);

  else atomKK->modified(execution_space,F_MASK);



  x = atomKK->k_x.view<DeviceType>();

  f = atomKK->k_f.view<DeviceType>();

  q = atomKK->k_q.view<DeviceType>();

src/KOKKOS/dihedral_opls_kokkos.cpp

+0 −3
Original line number Diff line number Diff line
@@ -85,13 +85,10 @@ void DihedralOPLSKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 
    d_vatom = k_vatom.d_view;

  }



  atomKK->sync(execution_space,datamask_read);

  k_k1.template sync<DeviceType>();

  k_k2.template sync<DeviceType>();

  k_k3.template sync<DeviceType>();

  k_k4.template sync<DeviceType>();

  if (eflag || vflag) atomKK->modified(execution_space,datamask_modify);

  else atomKK->modified(execution_space,F_MASK);



  x = atomKK->k_x.view<DeviceType>();

  f = atomKK->k_f.view<DeviceType>();

src/KOKKOS/pppm_kokkos.cpp

+1 −4
Original line number Diff line number Diff line
@@ -647,9 +647,6 @@ void PPPMKokkos<DeviceType>::compute(int eflag, int vflag) 
  f = atomKK->k_f.view<DeviceType>();

  q = atomKK->k_q.view<DeviceType>();



  atomKK->sync(execution_space,datamask_read);

  atomKK->modified(execution_space,datamask_modify);

 

  //nlocal = atomKK->nlocal;

  //nall = atomKK->nlocal + atomKK->nghost;

  //newton_pair = force->newton_pair;

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