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Tue, Nov 12, 05:47

atom_vec_cuda_kernel.cu
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
Original Version:
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
-----------------------------------------------------------------------
USER-CUDA Package and associated modifications:
https://sourceforge.net/projects/lammpscuda/
Christian Trott, christian.trott@tu-ilmenau.de
Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
Theoretical Physics II, University of Technology Ilmenau, Germany
See the README file in the USER-CUDA directory.
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#define RIMLARGER 1.000001
#define RIMSMALLER 0.999999
#define SMALL 1e-5
extern __shared__ int shared[];
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_PackComm_Kernel(int* sendlist, int n, int maxlistlength, int iswap, X_FLOAT dx, X_FLOAT dy, X_FLOAT dz, void* buffer)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
int* list = sendlist + iswap * maxlistlength;
if(i < n) {
int j = list[i];
if(j > _nmax) _flag[0] = 1;
int k = 0;
if(data_mask & X_MASK) {
((X_FLOAT*) buffer)[i + k * n] = _x[j] + dx;
k++;
((X_FLOAT*) buffer)[i + k * n] = _x[j + _nmax] + dy;
k++;
((X_FLOAT*) buffer)[i + k * n] = _x[j + 2 * _nmax] + dz;
k++;
}
if(data_mask & V_MASK) {
((X_FLOAT*) buffer)[i + k * n] = _v[j];
k++;
((X_FLOAT*) buffer)[i + k * n] = _v[j + _nmax];
k++;
((X_FLOAT*) buffer)[i + k * n] = _v[j + 2 * _nmax];
k++;
}
if(data_mask & OMEGA_MASK) {
((X_FLOAT*) buffer)[i + k * n] = _omega[j];
k++;
((X_FLOAT*) buffer)[i + k * n] = _omega[j + _nmax];
k++;
((X_FLOAT*) buffer)[i + k * n] = _omega[j + 2 * _nmax];
k++;
}
if(data_mask & RADIUS_MASK)((X_FLOAT*) buffer)[i + k * n] = _radius[j];
k++;
if(data_mask & RMASS_MASK)((X_FLOAT*) buffer)[i + k * n] = _rmass[j];
k++;
}
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_PackComm_Self_Kernel(int* sendlist, int n, int maxlistlength, int iswap, X_FLOAT dx, X_FLOAT dy, X_FLOAT dz, int first)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
int* list = sendlist + iswap * maxlistlength;
if(i < n) {
int j = i;
j = list[i];
if(data_mask & X_MASK) {
_x[i + first] = _x[j] + dx;
_x[i + first + _nmax] = _x[j + _nmax] + dy;
_x[i + first + 2 * _nmax] = _x[j + 2 * _nmax] + dz;
}
if(data_mask & V_MASK) {
_v[i + first] = _v[j];
_v[i + first + _nmax] = _v[j + _nmax];
_v[i + first + 2 * _nmax] = _v[j + 2 * _nmax];
}
if(data_mask & OMEGA_MASK) {
_omega[i + first] = _omega[j];
_omega[i + first + _nmax] = _omega[j + _nmax];
_omega[i + first + 2 * _nmax] = _omega[j + 2 * _nmax];
}
if(data_mask & RADIUS_MASK) _radius[i + first] = _radius[j];
if(data_mask & RMASS_MASK) _rmass[i + first] = _rmass[j];
}
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_UnpackComm_Kernel(int n, int first, void* buffer)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
if(i < n) {
int k = 0;
if(data_mask & X_MASK) {
_x[i + first] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_x[i + first + _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_x[i + first + 2 * _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
}
if(data_mask & V_MASK) {
_v[i + first] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_v[i + first + _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_v[i + first + 2 * _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
}
if(data_mask & OMEGA_MASK) {
_omega[i + first] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_omega[i + first + _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
_omega[i + first + 2 * _nmax] = ((X_FLOAT*) buffer)[i + k * n];
k++;
}
if(data_mask & RADIUS_MASK) _radius[i + first] = ((X_FLOAT*) buffer)[i + k * n];
k++;
if(data_mask & RMASS_MASK) _rmass[i + first] = ((X_FLOAT*) buffer)[i + k * n];
k++;
}
}
__global__ void Cuda_AtomVecCuda_PackExchangeList_Kernel(int n, int dim)
{
double* buf = (double*) _buffer;
buf = &buf[1];
//X_FLOAT lo=slablo[iswap];
//X_FLOAT hi=slabhi[iswap];
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
bool add = false;
if(i < _nlocal) {
double xdim_tmp = static_cast <double>(_x[i + dim * _nmax]);
if(xdim_tmp < _sublo[dim] || xdim_tmp >= _subhi[dim]) {
add = true;
}
}
shared[threadIdx.x] = add ? 1 : 0;
__syncthreads();
int nsend = 0;
if(threadIdx.x == 0) {
for(int k = 0; k < blockDim.x; k++) {
if(shared[k]) {
nsend++;
shared[k] = nsend;
}
}
shared[blockDim.x] = atomicAdd((int*) _buffer, nsend);
}
__syncthreads();
nsend = shared[blockDim.x] + shared[threadIdx.x] - 1;
if(add && nsend + 1 < n)
buf[nsend] = i;
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_PackExchange_Kernel(int nsend, int* copylist)
{
double* buf = (double*) _buffer;
int k = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
if(k >= nsend) return;
buf = &buf[1 + k];
int i = static_cast <int>(buf[0]);
int j = copylist[k];
int m = 1;
if(data_mask & X_MASK) {
buf[(m++)*nsend] = static_cast <double>(_x[i]);
buf[(m++)*nsend] = static_cast <double>(_x[i + _nmax]);
buf[(m++)*nsend] = static_cast <double>(_x[i + 2 * _nmax]);
}
if(data_mask & V_MASK) {
buf[(m++)*nsend] = _v[i];
buf[(m++)*nsend] = _v[i + _nmax];
buf[(m++)*nsend] = _v[i + 2 * _nmax];
}
if(data_mask & TAG_MASK) buf[(m++)*nsend] = _tag[i];
if(data_mask & TYPE_MASK) buf[(m++)*nsend] = _type[i];
if(data_mask & MASK_MASK) buf[(m++)*nsend] = _mask[i];
if(data_mask & IMAGE_MASK) buf[(m++)*nsend] = _image[i];
if(data_mask & Q_MASK) buf[(m++)*nsend] = _q[i];
if(data_mask & MOLECULE_MASK) buf[(m++)*nsend] = _molecule[i];
if(data_mask & RADIUS_MASK) buf[(m++)*nsend] = _radius[i];
if(data_mask & DENSITY_MASK) buf[(m++)*nsend] = _density[i];
if(data_mask & RMASS_MASK) buf[(m++)*nsend] = _rmass[i];
if(data_mask & OMEGA_MASK) {
buf[(m++)*nsend] = _omega[i];
buf[(m++)*nsend] = _omega[i + _nmax];
buf[(m++)*nsend] = _omega[i + 2 * _nmax];
}
/* if(data_mask & NSPECIAL_MASK)
{
buf[(m++)*nsend] = _nspecial[i];
buf[(m++)*nsend] = _nspecial[i+_nmax];
buf[(m++)*nsend] = _nspecial[i+2* _nmax];
}*/
if(i >= _nlocal) return;
if(data_mask & X_MASK) {
_x[i] = _x[j];
_x[i + _nmax] = _x[j + _nmax];
_x[i + 2 * _nmax] = _x[j + 2 * _nmax];
}
if(data_mask & V_MASK) {
_v[i] = _v[j];
_v[i + _nmax] = _v[j + _nmax];
_v[i + 2 * _nmax] = _v[j + 2 * _nmax];
}
if(data_mask & TAG_MASK) _tag[i] = _tag[j];
if(data_mask & TYPE_MASK) _type[i] = _type[j];
if(data_mask & MASK_MASK) _mask[i] = _mask[j];
if(data_mask & IMAGE_MASK) _image[i] = _image[j];
if(data_mask & Q_MASK) _q[i] = _q[j];
if(data_mask & MOLECULE_MASK) _molecule[i] = _molecule[j];
if(data_mask & RADIUS_MASK) _radius[i] = _radius[j];
if(data_mask & DENSITY_MASK) _density[i] = _density[j];
if(data_mask & RMASS_MASK) _rmass[i] = _rmass[j];
if(data_mask & OMEGA_MASK) {
_omega[i] = _omega[j];
_omega[i + _nmax] = _omega[j + _nmax];
_omega[i + 2 * _nmax] = _omega[j + 2 * _nmax];
}
/* if(data_mask & NSPECIAL_MASK)
{
_nspecial[i] = _nspecial[j];
_nspecial[i+_nmax] = _nspecial[j+_nmax];
_nspecial[i+2* _nmax] = _nspecial[j+2* _nmax];
}*/
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_UnpackExchange_Kernel(int dim, int nsend, int* copylist)
{
double* buf = (double*) _buffer;
int k = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
if(k >= nsend) return;
buf = &buf[1 + k];
int i = -1;
double xdim_tmp = buf[(1 + dim) * nsend];
if(xdim_tmp >= _sublo[dim] - SMALL && xdim_tmp < _subhi[dim] + SMALL) {
i = atomicAdd(_flag, 1) + _nlocal;
int m = 1;
if(data_mask & X_MASK) {
_x[i] = buf[(m++) * nsend];
_x[i + _nmax] = buf[(m++) * nsend];
_x[i + 2 * _nmax] = buf[(m++) * nsend];
}
if(data_mask & V_MASK) {
_v[i] = buf[(m++) * nsend];
_v[i + _nmax] = buf[(m++) * nsend];
_v[i + 2 * _nmax] = buf[(m++) * nsend];
}
if(data_mask & TAG_MASK) _tag[i] = buf[(m++) * nsend];
if(data_mask & TYPE_MASK) _type[i] = buf[(m++) * nsend];
if(data_mask & MASK_MASK) _mask[i] = buf[(m++) * nsend];
if(data_mask & IMAGE_MASK) _image[i] = buf[(m++) * nsend];
if(data_mask & Q_MASK) _q[i] = buf[(m++) * nsend];
if(data_mask & MOLECULE_MASK) _molecule[i] = buf[(m++) * nsend];
if(data_mask & RADIUS_MASK) _radius[i] = buf[(m++) * nsend];
if(data_mask & DENSITY_MASK) _density[i] = buf[(m++) * nsend];
if(data_mask & RMASS_MASK) _rmass[i] = buf[(m++) * nsend];
if(data_mask & OMEGA_MASK) {
_omega[i] = buf[(m++) * nsend];
_omega[i + _nmax] = buf[(m++) * nsend];
_omega[i + 2 * _nmax] = buf[(m++) * nsend];
}
/* if(data_mask & NSPECIAL_MASK)
{
_nspecial[i] = buf[(m++)*nsend];
_nspecial[i+_nmax] = buf[(m++)*nsend];
_nspecial[i+2*_nmax] = buf[(m++)*nsend];
}*/
}
copylist[k] = i;
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_PackBorder_Kernel(int* sendlist, int n, int maxlistlength, int iswap, X_FLOAT dx, X_FLOAT dy, X_FLOAT dz)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
int* list = sendlist + iswap * maxlistlength;
if(i < n) {
int j = list[i];
int m = 0;
if(data_mask & X_MASK) {
((X_FLOAT*) _buffer)[i + (m++)*n] = _x[j] + dx;
((X_FLOAT*) _buffer)[i + (m++)*n] = _x[j + _nmax] + dy;
((X_FLOAT*) _buffer)[i + (m++)*n] = _x[j + 2 * _nmax] + dz;
}
if(data_mask & V_MASK) {
((X_FLOAT*) _buffer)[i + (m++)*n] = _v[j];
((X_FLOAT*) _buffer)[i + (m++)*n] = _v[j + _nmax];
((X_FLOAT*) _buffer)[i + (m++)*n] = _v[j + 2 * _nmax];
}
if(data_mask & TAG_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _tag[j];
if(data_mask & TYPE_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _type[j];
if(data_mask & MASK_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _mask[j];
if(data_mask & Q_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _q[j];
if(data_mask & MOLECULE_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _molecule[j];
if(data_mask & RADIUS_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _radius[i];
if(data_mask & DENSITY_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _density[i];
if(data_mask & RMASS_MASK)((X_FLOAT*) _buffer)[i + (m++)*n] = _rmass[i];
if(data_mask & OMEGA_MASK) {
((X_FLOAT*) _buffer)[i + (m++)*n] = _omega[i];
((X_FLOAT*) _buffer)[i + (m++)*n] = _omega[i + _nmax];
((X_FLOAT*) _buffer)[i + (m++)*n] = _omega[i + 2 * _nmax];
}
}
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_PackBorder_Self_Kernel(int* sendlist, int n, int maxlistlength, int iswap, X_FLOAT dx, X_FLOAT dy, X_FLOAT dz, int first)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
int* list = sendlist + iswap * maxlistlength;
if(i < n) {
int j = list[i];
if(data_mask & X_MASK) {
_x[i + first] = _x[j] + dx;
_x[i + first + _nmax] = _x[j + _nmax] + dy;
_x[i + first + 2 * _nmax] = _x[j + 2 * _nmax] + dz;
}
if(data_mask & V_MASK) {
_v[i + first] = _v[j];
_v[i + first + _nmax] = _v[j + _nmax];
_v[i + first + 2 * _nmax] = _v[j + 2 * _nmax];
}
if(data_mask & TAG_MASK) _tag[i + first] = _tag[j];
if(data_mask & TYPE_MASK) _type[i + first] = _type[j];
if(data_mask & MASK_MASK) _mask[i + first] = _mask[j];
if(data_mask & Q_MASK) _q[i + first] = _q[j];
if(data_mask & MOLECULE_MASK) _molecule[i + first] = _molecule[j];
if(data_mask & RADIUS_MASK) _radius[i + first] = _radius[j];
if(data_mask & DENSITY_MASK) _density[i + first] = _density[j];
if(data_mask & RMASS_MASK) _rmass[i + first] = _rmass[j];
if(data_mask & OMEGA_MASK) {
_omega[i + first] = _omega[j];
_omega[i + first + _nmax] = _omega[j + _nmax];
_omega[i + first + 2 * _nmax] = _omega[j + 2 * _nmax];
}
}
}
template <const unsigned int data_mask>
__global__ void Cuda_AtomVecCuda_UnpackBorder_Kernel(int n, int first)
{
int i = (blockIdx.x * gridDim.y + blockIdx.y) * blockDim.x + threadIdx.x;
if(i < n) {
if(i + first < _nmax) {
int m = 0;
if(data_mask & X_MASK) {
_x[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_x[i + first + _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_x[i + first + 2 * _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
}
if(data_mask & V_MASK) {
_v[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_v[i + first + _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_v[i + first + 2 * _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
}
if(data_mask & TAG_MASK) _tag[i + first] = static_cast<int>(((X_FLOAT*) _buffer)[i + (m++) * n]);
if(data_mask & TYPE_MASK) _type[i + first] = static_cast<int>(((X_FLOAT*) _buffer)[i + (m++) * n]);
if(data_mask & MASK_MASK) _mask[i + first] = static_cast<int>(((X_FLOAT*) _buffer)[i + (m++) * n]);
if(data_mask & Q_MASK) _q[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
if(data_mask & MOLECULE_MASK) _molecule[i + first] = static_cast<int>(((X_FLOAT*) _buffer)[i + (m++) * n]);
if(data_mask & RADIUS_MASK) _radius[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
if(data_mask & DENSITY_MASK) _density[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
if(data_mask & RMASS_MASK) _rmass[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
if(data_mask & OMEGA_MASK) {
_omega[i + first] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_omega[i + first + _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
_omega[i + first + 2 * _nmax] = ((X_FLOAT*) _buffer)[i + (m++) * n];
}
} else {
_flag[0] = 1;
}
}
}

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