allow fix momentum angular with CUDA

This commit is contained in:
Dan Ibanez
2016-12-21 08:55:33 -07:00
parent ea76041803
commit 54963ba7da
2 changed files with 0 additions and 11 deletions

View File

@ -36,9 +36,6 @@ template<class DeviceType>
FixMomentumKokkos<DeviceType>::FixMomentumKokkos(LAMMPS *lmp, int narg, char **arg) :
FixMomentum(lmp, narg, arg)
{
#ifdef KOKKOS_HAVE_CUDA
if (angular) error->all(FLERR, "Kokkos+CUDA fix momentum doesn't support angular");
#endif
kokkosable = 1;
atomKK = (AtomKokkos *) atom;
execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
@ -130,7 +127,6 @@ void FixMomentumKokkos<DeviceType>::end_of_step()
});
}
#ifndef KOKKOS_HAVE_CUDA
if (angular) {
Few<double, 3> xcm, angmom, omega;
double inertia[3][3];
@ -156,8 +152,6 @@ void FixMomentumKokkos<DeviceType>::end_of_step()
double dx,dy,dz;
auto x_i = Few<double,3>(&x(i,0));
auto unwrap = DomainKokkos::unmap(prd,h,triclinic,x_i,image(i));
//double unwrap[3];
//domain->unmap(&x(i,0),image(i),unwrap); // this will not work in CUDA
dx = unwrap[0] - xcm[0];
dy = unwrap[1] - xcm[1];
dz = unwrap[2] - xcm[2];
@ -167,7 +161,6 @@ void FixMomentumKokkos<DeviceType>::end_of_step()
}
});
}
#endif
// compute kinetic energy after momentum removal, if needed

View File

@ -43,8 +43,4 @@ class FixMomentumKokkos : public FixMomentum {
/* ERROR/WARNING messages:
E: Kokkos+CUDA fix momentum doesn't support angular
Self-explanatory.
*/