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Fixing GPU memory issue in fix_langevin_kokkos

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This commit is contained in:
Stan Moore
2017-01-25 12:53:55 -07:00
parent 73177d650d
commit 26c8d3d98f
1 changed files with 6 additions and 3 deletions
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9
src/KOKKOS/fix_langevin_kokkos.cpp
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@ -177,11 +177,12 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
// account for bias velocity
if(tbiasflag == BIAS){
atomKK->sync(temperature->execution_space,temperature->datamask_read);
temperature->compute_scalar();
temperature->remove_bias_all(); // modifies velocities
// if temeprature compute is kokkosized host-devcie comm won't be needed
atomKK->modified(Host,V_MASK);
atomKK->sync(execution_space,V_MASK);
atomKK->modified(temperature->execution_space,temperature->datamask_modify);
atomKK->sync(execution_space,temperature->datamask_modify);
}
// compute langevin force in parallel on the device
@ -508,8 +509,10 @@ void FixLangevinKokkos<DeviceType>::post_force(int vflag)
DeviceType::fence();
if(tbiasflag == BIAS){
atomKK->sync(temperature->execution_space,temperature->datamask_read);
temperature->restore_bias_all(); // modifies velocities
atomKK->modified(Host,V_MASK);
atomKK->modified(temperature->execution_space,temperature->datamask_modify);
atomKK->sync(execution_space,temperature->datamask_modify);
}
// set modify flags for the views modified in post_force functor