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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7991 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-03-28 22:12:58 +00:00
parent fac9a176b9
commit d8a6e13eb3
2 changed files with 16 additions and 3 deletions
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15
src/USER-CUDA/cuda.cpp
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@ -545,13 +545,26 @@ void Cuda::evsetup_eatom_vatom(int eflag_atom,int vflag_atom)
{
if(not cu_eatom)
cu_eatom = new cCudaData<double, ENERGY_FLOAT, x > (force->pair->eatom, & (shared_data.atom.eatom) , atom->nmax );// cu_eatom->set_buffer(&(copy_buffer),&(copy_buffersize),true);}
if(cu_eatom->get_dim()[0]!=atom->nmax)
{
//delete cu_eatom;
//cu_eatom = new cCudaData<double, ENERGY_FLOAT, x > (force->pair->eatom, & (shared_data.atom.eatom) , atom->nmax );// cu_eatom->set_buffer(&(copy_buffer),&(copy_buffersize),true);}
shared_data.atom.update_nmax=2;
}
cu_eatom->set_host_data(force->pair->eatom);
cu_eatom->memset_device(0);
cu_eatom->memset_device(0);
}
if(vflag_atom)
{
if(not cu_vatom)
cu_vatom = new cCudaData<double, ENERGY_FLOAT, yx > ((double*)force->pair->vatom, & (shared_data.atom.vatom) , atom->nmax ,6 );// cu_vatom->set_buffer(&(copy_buffer),&(copy_buffersize),true);}
if(cu_vatom->get_dim()[0]!=atom->nmax)
{
//delete cu_vatom;
//cu_vatom = new cCudaData<double, ENERGY_FLOAT, yx > ((double*)force->pair->vatom, & (shared_data.atom.vatom) , atom->nmax ,6 );// cu_vatom->set_buffer(&(copy_buffer),&(copy_buffersize),true);}
shared_data.atom.update_nmax=2;
}
cu_vatom->set_host_data((double*)force->pair->vatom);
cu_vatom->memset_device(0);
}