forked from lijiext/lammps
119 lines
4.1 KiB
Plaintext
119 lines
4.1 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_CFLOAT 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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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_CFLOAT* buffer = (ENERGY_CFLOAT*) _buffer;
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if(threadIdx.x == 0) {
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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_CFLOAT 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_CFLOAT* buffer = (ENERGY_CFLOAT*) _buffer;
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if(threadIdx.x == 0) {
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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_CFLOAT* 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_CFLOAT myforig = 0.0;
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ENERGY_CFLOAT* buf = (ENERGY_CFLOAT*) _buffer;
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buf = &buf[blockIdx.x * n];
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while(i < n) {
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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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