forked from lijiext/lammps
88 lines
2.5 KiB
Plaintext
88 lines
2.5 KiB
Plaintext
/* ----------------------------------------------------------------------
|
|
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__ F_FLOAT sharedmem[];
|
|
|
|
|
|
__global__ void Cuda_FixFreezeCuda_PostForce_Kernel(int groupbit)
|
|
{
|
|
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;
|
|
|
|
if(i < _nlocal)
|
|
if(_mask[i] & groupbit) {
|
|
sharedmem[threadIdx.x] = _f[i];
|
|
sharedmem[threadIdx.x + blockDim.x] = _f[i + 1 * _nmax];
|
|
sharedmem[threadIdx.x + 2 * blockDim.x] = _f[i + 2 * _nmax];
|
|
|
|
_f[i] = F_F(0.0);
|
|
_f[i + 1 * _nmax] = F_F(0.0);
|
|
_f[i + 2 * _nmax] = F_F(0.0);
|
|
_torque[i] = F_F(0.0);
|
|
_torque[i + 1 * _nmax] = F_F(0.0);
|
|
_torque[i + 2 * _nmax] = F_F(0.0);
|
|
}
|
|
|
|
|
|
reduceBlock(sharedmem);
|
|
reduceBlock(&sharedmem[blockDim.x]);
|
|
reduceBlock(&sharedmem[2 * blockDim.x]);
|
|
F_FLOAT* buffer = (F_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];
|
|
}
|
|
}
|
|
|
|
|
|
__global__ void Cuda_FixFreezeCuda_Reduce_FOriginal(int n, F_FLOAT* foriginal)
|
|
{
|
|
int i = 0;
|
|
sharedmem[threadIdx.x] = 0;
|
|
F_FLOAT myforig = 0.0;
|
|
F_FLOAT* buf = (F_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)
|
|
foriginal[blockIdx.x] = myforig;
|
|
}
|
|
|