forked from lijiext/lammps
67 lines
2.2 KiB
Plaintext
67 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 MY_PREFIX fix_temp_berendsen_cuda
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#include "cuda_shared.h"
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#include "cuda_common.h"
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#include "crm_cuda_utils.cu"
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#include "fix_temp_berendsen_cuda_cu.h"
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#include "fix_temp_berendsen_cuda_kernel.cu"
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void Cuda_FixTempBerendsenCuda_UpdateNmax(cuda_shared_data* sdata)
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{
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cudaMemcpyToSymbol(MY_AP(mask) , & sdata->atom.mask .dev_data, sizeof(int*));
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cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
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cudaMemcpyToSymbol(MY_AP(nmax) , & sdata->atom.nmax , sizeof(int));
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cudaMemcpyToSymbol(MY_AP(v) , & sdata->atom.v .dev_data, sizeof(X_FLOAT*));
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}
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void Cuda_FixTempBerendsenCuda_Init(cuda_shared_data* sdata)
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{
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Cuda_FixTempBerendsenCuda_UpdateNmax(sdata);
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}
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void Cuda_FixTempBerendsenCuda_EndOfStep(cuda_shared_data* sdata, int groupbit, double afactor)
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{
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V_FLOAT factor = afactor;
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if(sdata->atom.update_nmax)
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Cuda_FixTempBerendsenCuda_UpdateNmax(sdata);
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if(sdata->atom.update_nlocal)
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cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
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int3 layout = getgrid(sdata->atom.nlocal);
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dim3 threads(layout.z, 1, 1);
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dim3 grid(layout.x, layout.y, 1);
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Cuda_FixTempBerendsenCuda_EndOfStep_Kernel <<< grid, threads, 0>>> (groupbit, factor);
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cudaThreadSynchronize();
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CUT_CHECK_ERROR("Cuda_Cuda_FixTempBerendsenCuda_PostForce: fix add_force post_force compute Kernel execution failed");
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}
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