Homec4science
Diffusion lammps (master) Browse

lammps/lib/cuda/compute_temp_partial_cuda_kernel.cu
3295bdbec039master

Last Change
Raw File

compute_temp_partial_cuda_kernel.cu
View Options

/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
extern __shared__ ENERGY_FLOAT sharedmem[];
__global__ void Cuda_ComputeTempPartialCuda_Scalar_Kernel(int groupbit,int xflag,int yflag,int zflag)
{
int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
sharedmem[threadIdx.x]=0;
if(i < _nlocal)
{
if (_rmass_flag) {
if (_mask[i] & groupbit)
sharedmem[threadIdx.x] = (_v[i]*_v[i]*xflag + _v[i+_nmax]*_v[i+_nmax]*yflag + _v[i+2*_nmax]*_v[i+2*_nmax]*zflag) * _rmass[i];
} else {
if (_mask[i] & groupbit)
sharedmem[threadIdx.x] = (_v[i]*_v[i]*xflag + _v[i+_nmax]*_v[i+_nmax]*yflag + _v[i+2*_nmax]*_v[i+2*_nmax]*zflag) * (_mass[_type[i]]);
}
}
reduceBlock(sharedmem);
ENERGY_FLOAT* buffer=(ENERGY_FLOAT*) _buffer;
if(threadIdx.x==0)
{
buffer[blockIdx.x*gridDim.y+blockIdx.y]=sharedmem[0];
}
}
__global__ void Cuda_ComputeTempPartialCuda_Vector_Kernel(int groupbit,int xflag,int yflag,int zflag)
{
int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
sharedmem[threadIdx.x]=0;
sharedmem[threadIdx.x+blockDim.x]=0;
sharedmem[threadIdx.x+2*blockDim.x]=0;
sharedmem[threadIdx.x+3*blockDim.x]=0;
sharedmem[threadIdx.x+4*blockDim.x]=0;
sharedmem[threadIdx.x+5*blockDim.x]=0;
if(i < _nlocal)
if (_mask[i] & groupbit) {
V_FLOAT massone;
if (_rmass_flag) massone = _rmass[i];
else massone = _mass[_type[i]];
sharedmem[threadIdx.x] = massone * _v[i]*_v[i]*xflag;
sharedmem[threadIdx.x+blockDim.x] = massone * _v[i+_nmax]*_v[i+_nmax]*yflag;
sharedmem[threadIdx.x+2*blockDim.x] = massone * _v[i+2*_nmax]*_v[i+2*_nmax]*zflag;
sharedmem[threadIdx.x+3*blockDim.x] = massone * _v[i]*_v[i+_nmax]*xflag*yflag;
sharedmem[threadIdx.x+4*blockDim.x] = massone * _v[i]*_v[i+2*_nmax]*xflag*zflag;
sharedmem[threadIdx.x+5*blockDim.x] = massone * _v[i+_nmax]*_v[i+2*_nmax]*yflag*zflag;
}
reduceBlock(sharedmem);
reduceBlock(&sharedmem[blockDim.x]);
reduceBlock(&sharedmem[2*blockDim.x]);
reduceBlock(&sharedmem[3*blockDim.x]);
reduceBlock(&sharedmem[4*blockDim.x]);
reduceBlock(&sharedmem[5*blockDim.x]);
ENERGY_FLOAT* buffer=(ENERGY_FLOAT*) _buffer;
if(threadIdx.x==0)
{
buffer[blockIdx.x*gridDim.y+blockIdx.y]=sharedmem[0];
buffer[blockIdx.x*gridDim.y+blockIdx.y+gridDim.x*gridDim.y]=sharedmem[blockDim.x];
buffer[blockIdx.x*gridDim.y+blockIdx.y+2*gridDim.x*gridDim.y]=sharedmem[2*blockDim.x];
buffer[blockIdx.x*gridDim.y+blockIdx.y+3*gridDim.x*gridDim.y]=sharedmem[3*blockDim.x];
buffer[blockIdx.x*gridDim.y+blockIdx.y+4*gridDim.x*gridDim.y]=sharedmem[4*blockDim.x];
buffer[blockIdx.x*gridDim.y+blockIdx.y+5*gridDim.x*gridDim.y]=sharedmem[5*blockDim.x];
}
}
__global__ void Cuda_ComputeTempPartialCuda_Reduce_Kernel(int n,ENERGY_FLOAT* t)
{
int i=0;
sharedmem[threadIdx.x]=0;
ENERGY_FLOAT myforig=0.0;
ENERGY_FLOAT* buf=(ENERGY_FLOAT*) _buffer;
buf=&buf[blockIdx.x*n];
while(i<n)
{
sharedmem[threadIdx.x]=0;
if(i+threadIdx.x<n)
sharedmem[threadIdx.x]=buf[i+threadIdx.x];
__syncthreads();
reduceBlock(sharedmem);
i+=blockDim.x;
if(threadIdx.x==0)
myforig+=sharedmem[0];
}
if(threadIdx.x==0)
t[blockIdx.x]=myforig;
}
__global__ void Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel(int groupbit,int xflag,int yflag,int zflag,V_FLOAT* vbiasall)
{
int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
if(i < _nlocal)
if (_mask[i] & groupbit) {
if(!xflag)
{
vbiasall[i] = _v[i];
_v[i] = V_F(0.0);
}
if(!yflag)
{
vbiasall[i+_nmax] = _v[i+_nmax];
_v[i+_nmax] = V_F(0.0);
}
if(!zflag)
{
vbiasall[i+2*_nmax] = _v[i+2*_nmax];
_v[i+2*_nmax] = V_F(0.0);
}
}
}
__global__ void Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel(int groupbit,int xflag,int yflag,int zflag,V_FLOAT* vbiasall)
{
int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
if(i < _nlocal)
if (_mask[i] & groupbit) {
if(!xflag)
{
_v[i] += vbiasall[i];
}
if(!yflag)
{
_v[i+_nmax] += vbiasall[i+_nmax];
}
if(!zflag)
{
_v[i+2*_nmax] += vbiasall[i+2*_nmax];
}
}
}
c4science · Help