110 lines
3.9 KiB
Plaintext
110 lines
3.9 KiB
Plaintext
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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Original Version:
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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See the README file in the top-level LAMMPS directory.
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-----------------------------------------------------------------------
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USER-CUDA Package and associated modifications:
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https://sourceforge.net/projects/lammpscuda/
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Christian Trott, christian.trott@tu-ilmenau.de
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Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
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Theoretical Physics II, University of Technology Ilmenau, Germany
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See the README file in the USER-CUDA directory.
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This software is distributed under the GNU General Public License.
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------------------------------------------------------------------------- */
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extern __shared__ ENERGY_FLOAT sharedmem[];
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__global__ void Cuda_ComputeTempCuda_Scalar_Kernel(int groupbit)
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{
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int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
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sharedmem[threadIdx.x]=0;
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if(i < _nlocal)
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{
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if (_rmass_flag) {
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if (_mask[i] & groupbit)
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sharedmem[threadIdx.x] = (_v[i]*_v[i] + _v[i+_nmax]*_v[i+_nmax] + _v[i+2*_nmax]*_v[i+2*_nmax]) * _rmass[i];
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} else {
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if (_mask[i] & groupbit)
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sharedmem[threadIdx.x] = (_v[i]*_v[i] + _v[i+_nmax]*_v[i+_nmax] + _v[i+2*_nmax]*_v[i+2*_nmax]) * (_mass[_type[i]]);
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}
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}
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reduceBlock(sharedmem);
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ENERGY_FLOAT* buffer=(ENERGY_FLOAT*) _buffer;
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if(threadIdx.x==0)
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{
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)]=sharedmem[0];
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}
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}
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__global__ void Cuda_ComputeTempCuda_Vector_Kernel(int groupbit)
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{
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int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
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sharedmem[threadIdx.x]=0;
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sharedmem[threadIdx.x+blockDim.x]=0;
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sharedmem[threadIdx.x+2*blockDim.x]=0;
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sharedmem[threadIdx.x+3*blockDim.x]=0;
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sharedmem[threadIdx.x+4*blockDim.x]=0;
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sharedmem[threadIdx.x+5*blockDim.x]=0;
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if(i < _nlocal)
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if (_mask[i] & groupbit) {
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V_FLOAT massone;
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if (_rmass_flag) massone = _rmass[i];
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else massone = _mass[_type[i]];
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sharedmem[threadIdx.x] = massone * _v[i]*_v[i];
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sharedmem[threadIdx.x+blockDim.x] = massone * _v[i+_nmax]*_v[i+_nmax];
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sharedmem[threadIdx.x+2*blockDim.x] = massone * _v[i+2*_nmax]*_v[i+2*_nmax];
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sharedmem[threadIdx.x+3*blockDim.x] = massone * _v[i]*_v[i+_nmax];
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sharedmem[threadIdx.x+4*blockDim.x] = massone * _v[i]*_v[i+2*_nmax];
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sharedmem[threadIdx.x+5*blockDim.x] = massone * _v[i+_nmax]*_v[i+2*_nmax];
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}
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reduceBlock(sharedmem);
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reduceBlock(&sharedmem[blockDim.x]);
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reduceBlock(&sharedmem[2*blockDim.x]);
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reduceBlock(&sharedmem[3*blockDim.x]);
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reduceBlock(&sharedmem[4*blockDim.x]);
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reduceBlock(&sharedmem[5*blockDim.x]);
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ENERGY_FLOAT* buffer=(ENERGY_FLOAT*) _buffer;
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if(threadIdx.x==0)
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{
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)]=sharedmem[0];
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)+gridDim.x*gridDim.y]=sharedmem[blockDim.x];
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)+2*gridDim.x*gridDim.y]=sharedmem[2*blockDim.x];
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)+3*gridDim.x*gridDim.y]=sharedmem[3*blockDim.x];
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)+4*gridDim.x*gridDim.y]=sharedmem[4*blockDim.x];
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buffer[(blockIdx.x*gridDim.y+blockIdx.y)+5*gridDim.x*gridDim.y]=sharedmem[5*blockDim.x];
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}
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}
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__global__ void Cuda_ComputeTempCuda_Reduce_Kernel(int n,ENERGY_FLOAT* t)
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{
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int i=0;
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sharedmem[threadIdx.x]=0;
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ENERGY_FLOAT myforig=0.0;
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ENERGY_FLOAT* buf=(ENERGY_FLOAT*) _buffer;
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buf=&buf[blockIdx.x*n];
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while(i<n)
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{
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sharedmem[threadIdx.x]=0;
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if(i+threadIdx.x<n)
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sharedmem[threadIdx.x]=buf[i+threadIdx.x];
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__syncthreads();
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reduceBlock(sharedmem);
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i+=blockDim.x;
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if(threadIdx.x==0)
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myforig+=sharedmem[0];
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}
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if(threadIdx.x==0)
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t[blockIdx.x]=myforig;
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}
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