/* ---------------------------------------------------------------------- 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]; } } }