forked from lijiext/lammps
80 lines
2.2 KiB
Plaintext
80 lines
2.2 KiB
Plaintext
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/* ----------------------------------------------------------------------
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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 _r0 MY_AP(coeff1)
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#define _alpha MY_AP(coeff2)
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#define _morse1 MY_AP(coeff3)
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#define _d0 MY_AP(coeff4)
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#define _c0 MY_AP(coeff5)
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#include "pair_morse_coul_long_cuda_cu.h"
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#include "pair_morse_coul_long_cuda_kernel_nc.cu"
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#include <time.h>
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void Cuda_PairMorseCoulLongCuda_Init(cuda_shared_data* sdata)
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{
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Cuda_Pair_Init_AllStyles(sdata, 5,true);
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}
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void Cuda_PairMorseCoulLongCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag,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_PairMorseCoulLongCuda_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,true,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_MORSE_R6,COUL_LONG,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_MORSE_R6,COUL_LONG,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 _rhoinv
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#undef _sigma
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#undef _a
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#undef _c
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#undef _d
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#undef _c0
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