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pair_lj_sdk_cuda.cu
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Fri, Sep 6, 08:26

pair_lj_sdk_cuda.cu
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/* ----------------------------------------------------------------------
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 _lj_type MY_AP(coeff5)
enum {CG_NOT_SET = 0, CG_LJ9_6, CG_LJ12_4, CG_LJ12_6, NUM_CG_TYPES,
CG_COUL_NONE, CG_COUL_CUT, CG_COUL_DEBYE, CG_COUL_LONG
};
#include "pair_lj_sdk_cuda_cu.h"
#include "pair_lj_sdk_cuda_kernel_nc.cu"
#include <time.h>
void Cuda_PairLJSDKCuda_Init(cuda_shared_data* sdata)
{
Cuda_Pair_Init_AllStyles(sdata, 5, false, false);
}
void Cuda_PairLJSDKCuda(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_PairLJSDKCuda_Init(sdata);
}
dim3 grid, threads;
int sharedperproc;
int maxthreads = 128;
Cuda_Pair_PreKernel_AllStyles(sdata, sneighlist, eflag, vflag, grid, threads, sharedperproc, false, maxthreads);
cudaStream_t* streams = (cudaStream_t*) CudaWrapper_returnStreams();
if(sdata->pair.use_block_per_atom)
Pair_Kernel_BpA<PAIR_CG_CMM, 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_CG_CMM, 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
#undef _lj_type

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