forked from lijiext/lammps
76 lines
2.3 KiB
Plaintext
76 lines
2.3 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.
|
||
|
|
------------------------------------------------------------------------- */
|
||
|
|
|
||
|
|
#include <stdio.h>
|
||
|
|
|
||
|
|
#define _lj1 MY_AP(coeff1)
|
||
|
|
#define _lj2 MY_AP(coeff2)
|
||
|
|
#define _lj3 MY_AP(coeff3)
|
||
|
|
#define _lj4 MY_AP(coeff4)
|
||
|
|
|
||
|
|
#include "pair_lj_cut_cuda_cu.h"
|
||
|
|
#include "pair_lj_cut_cuda_kernel_nc.cu"
|
||
|
|
|
||
|
|
#include <time.h>
|
||
|
|
|
||
|
|
void Cuda_PairLJCutCuda_Init(cuda_shared_data* sdata)
|
||
|
|
{
|
||
|
|
Cuda_Pair_Init_AllStyles(sdata, 4);
|
||
|
|
}
|
||
|
|
|
||
|
|
void Cuda_PairLJCutCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom)
|
||
|
|
{
|
||
|
|
|
||
|
|
|
||
|
|
static short init = 0;
|
||
|
|
|
||
|
|
if(! init) {
|
||
|
|
init = 1;
|
||
|
|
Cuda_PairLJCutCuda_Init(sdata);
|
||
|
|
}
|
||
|
|
|
||
|
|
dim3 grid, threads;
|
||
|
|
int sharedperproc;
|
||
|
|
|
||
|
|
//int maxthreads=192*sizeof(double)/sizeof(F_FLOAT);
|
||
|
|
//if(CUDA_ARCH==20) maxthreads*=2;
|
||
|
|
//cudaFuncSetCacheConfig(Pair_Kernel_TpA_opt<PAIR_LJ_CUT,COUL_NONE,DATA_NONE>,cudaFuncCachePreferL1);
|
||
|
|
Cuda_Pair_PreKernel_AllStyles(sdata, sneighlist, eflag, vflag, grid, threads, sharedperproc, false, 192);
|
||
|
|
cudaStream_t* streams = (cudaStream_t*) CudaWrapper_returnStreams();
|
||
|
|
|
||
|
|
if(sdata->pair.use_block_per_atom)
|
||
|
|
Pair_Kernel_BpA<PAIR_LJ_CUT, COUL_NONE, DATA_NONE>
|
||
|
|
<<< grid, threads, sharedperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom);
|
||
|
|
else
|
||
|
|
Pair_Kernel_TpA<PAIR_LJ_CUT, COUL_NONE, DATA_NONE>
|
||
|
|
<<< grid, threads, sharedperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom);
|
||
|
|
|
||
|
|
Cuda_Pair_PostKernel_AllStyles(sdata, grid, sharedperproc, eflag, vflag);
|
||
|
|
}
|
||
|
|
|
||
|
|
|
||
|
|
#undef _lj1
|
||
|
|
#undef _lj2
|
||
|
|
#undef _lj3
|
||
|
|
#undef _lj4
|