forked from lijiext/lammps
84 lines
2.4 KiB
Plaintext
84 lines
2.4 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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#include <stdio.h>
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#define _lj1 MY_AP(coeff1_gm)
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#define _lj2 MY_AP(coeff2_gm)
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#define _lj3 MY_AP(coeff3_gm)
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#define _lj4 MY_AP(coeff4_gm)
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#define _ljsw1 MY_AP(coeff5_gm)
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#define _ljsw2 MY_AP(coeff6_gm)
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#define _ljsw3 MY_AP(coeff7_gm)
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#define _ljsw4 MY_AP(coeff8_gm)
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#define _ljsw5 MY_AP(coeff9_gm)
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#include "pair_lj_gromacs_cuda_cu.h"
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#include "pair_lj_gromacs_cuda_kernel_nc.cu"
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#include <time.h>
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void Cuda_PairLJGromacsCuda_Init(cuda_shared_data* sdata)
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{
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Cuda_Pair_Init_AllStyles(sdata, 9,false,true,true);
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}
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void Cuda_PairLJGromacsCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag,
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int eflag_atom,int vflag_atom)
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{
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static short init=0;
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if(! init)
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{
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init = 1;
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Cuda_PairLJGromacsCuda_Init(sdata);
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}
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dim3 grid,threads;
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int sharedperproc;
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Cuda_Pair_PreKernel_AllStyles(sdata, sneighlist, eflag, vflag, grid, threads, sharedperproc,false,192);
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cudaStream_t* streams = (cudaStream_t*) CudaWrapper_returnStreams();
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if(sdata->pair.use_block_per_atom)
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Pair_Kernel_BpA<PAIR_LJ_GROMACS,COUL_NONE,DATA_NONE>
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<<<grid, threads,sharedperproc*sizeof(ENERGY_FLOAT)*threads.x,streams[1]>>> (eflag, vflag,eflag_atom,vflag_atom);
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else
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Pair_Kernel_TpA<PAIR_LJ_GROMACS,COUL_NONE,DATA_NONE>
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<<<grid, threads,sharedperproc*sizeof(ENERGY_FLOAT)*threads.x,streams[1]>>> (eflag, vflag,eflag_atom,vflag_atom);
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Cuda_Pair_PostKernel_AllStyles(sdata, grid, sharedperproc, eflag, vflag);
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}
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#undef _lj1
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#undef _lj2
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#undef _lj3
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#undef _lj4
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#undef _ljsw1
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#undef _ljsw2
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#undef _ljsw3
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#undef _ljsw4
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#undef _ljsw5
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