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