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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7140 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-10-20 14:32:41 +00:00
parent 497290eadc
commit 1049b963d7
7 changed files with 59 additions and 32 deletions
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21
lib/cuda/neighbor_kernel.cu
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@ -21,6 +21,8 @@
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#define SBBITS 30
__global__ void Binning_Kernel(int* binned_id,int bin_nmax,int bin_dim_x,int bin_dim_y,int bin_dim_z,
CUDA_FLOAT rez_bin_size_x,CUDA_FLOAT rez_bin_size_y,CUDA_FLOAT rez_bin_size_z)
{
@ -109,8 +111,9 @@ __device__ inline int find_special(int3 &n, int* list,int & tag,int3 flag)
}
template <const unsigned int exclude>
__global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_dim_x,int bin_dim_y,CUDA_FLOAT globcutoff,int block_style)
__global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_dim_x,int bin_dim_y,CUDA_FLOAT globcutoff,int block_style, bool neighall)
{
int natoms = neighall?_nall:_nlocal;
//const bool domol=false;
int bin_dim_z=gridDim.y;
CUDA_FLOAT* binned_x=(CUDA_FLOAT*) _buffer;
@ -152,7 +155,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
int jnum=0;
int itype;
if(i<_nlocal)
if(i<natoms)
{
jnum = 0;
_ilist[i]=i;
@ -186,7 +189,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
int kk=threadIdx.x;
for(int k = 0; k < MIN(bin_c-otherActOffset,blockDim.x); ++k)
{
if(i<_nlocal)
if(i<natoms)
{
kk++;
kk=kk<MIN(bin_c-otherActOffset,blockDim.x)?kk:0;
@ -209,7 +212,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
if(block_style)
_neighbors[i*_maxneighbors+jnum]= j;
else
_neighbors[i+jnum*_nlocal]= j;
_neighbors[i+jnum*natoms]= j;
}
++jnum;
}
@ -244,7 +247,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
for(int k = 0; k < MIN(blockDim.x,obin_c-otherActOffset); ++k)
{
if(i<_nlocal)
if(i<natoms)
{
int j = other_id[k];
if(exclude && exclusion(i,j,itype,_type[j])) continue;
@ -266,7 +269,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
if(block_style)
_neighbors[i*_maxneighbors+jnum]= j;
else
_neighbors[i+jnum*_nlocal]= j;
_neighbors[i+jnum*natoms]= j;
}
++jnum;
}
@ -279,7 +282,7 @@ __global__ void NeighborBuildFullBin_Kernel(int* binned_id,int bin_nmax,int bin_
if(jnum > _maxneighbors) ((int*)_buffer)[0] = -jnum;
if(i<_nlocal)
if(i<natoms)
_numneigh[i] = jnum;
}
}
@ -341,9 +344,9 @@ __global__ void FindSpecial(int block_style)
if(which>0)
{
if(block_style)
_neighbors[i*_maxneighbors+k]=j+which*_nall;
_neighbors[i*_maxneighbors+k]=j ^ (which << SBBITS);
else
_neighbors[i+k*_nlocal]=j+which*_nall;
_neighbors[i+k*_nlocal]=j ^ (which << SBBITS);
}
else if(which<0)
{