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Merge pull request #363 from ibaned/obey-datamask 

Fix GPU sync bugs
This commit is contained in:
sjplimp 2017-01-30 07:26:49 -07:00 committed by GitHub
parent f8506fee23 2a6f5e651c
commit 033b07fdb7
5 changed files with 1 additions and 18 deletions
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3
src/KOKKOS/angle_charmm_kokkos.cpp
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@ -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>();

3
src/KOKKOS/bond_fene_kokkos.cpp
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@ -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>();

5
src/KOKKOS/dihedral_charmm_kokkos.cpp
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@ -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>();

3
src/KOKKOS/dihedral_opls_kokkos.cpp
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@ -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>();

5
src/KOKKOS/pppm_kokkos.cpp
View File

@ -646,10 +646,7 @@ void PPPMKokkos<DeviceType>::compute(int eflag, int vflag)
x = atomKK->k_x.view<DeviceType>();
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;