forked from lijiext/lammps
81 lines
2.2 KiB
Plaintext
81 lines
2.2 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)
|
|
#define _cg_type MY_AP(coeff5)
|
|
|
|
|
|
#include "pair_cg_cmm_coul_debye_cuda_cu.h"
|
|
#include <time.h>
|
|
|
|
|
|
|
|
|
|
void Cuda_PairCGCMMCoulDebyeCuda_Init(cuda_shared_data* sdata)
|
|
{
|
|
Cuda_Pair_Init_AllStyles(sdata, 5, true, false );
|
|
|
|
}
|
|
|
|
|
|
|
|
|
|
void Cuda_PairCGCMMCoulDebyeCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag,int eflag_atom,int vflag_atom)
|
|
{
|
|
|
|
// initialize only on first call
|
|
static short init=0;
|
|
if(! init)
|
|
{
|
|
init = 1;
|
|
Cuda_PairCGCMMCoulDebyeCuda_Init(sdata);
|
|
}
|
|
|
|
dim3 grid,threads;
|
|
int sharedperproc;
|
|
|
|
Cuda_Pair_PreKernel_AllStyles(sdata, sneighlist, eflag, vflag, grid, threads, sharedperproc,true,128);
|
|
|
|
cudaStream_t* streams = (cudaStream_t*) CudaWrapper_returnStreams();
|
|
if(sdata->pair.use_block_per_atom)
|
|
Pair_Kernel_BpA<PAIR_CG_CMM,COUL_DEBYE,DATA_NONE>
|
|
<<<grid, threads,sharedperproc*sizeof(ENERGY_FLOAT)*threads.x,streams[1]>>> (eflag, vflag,eflag_atom,vflag_atom);
|
|
else
|
|
Pair_Kernel_TpA<PAIR_CG_CMM,COUL_DEBYE,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
|
|
#undef _cg_type
|
|
|