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lammps/lib/cuda/fix_set_force_cuda.cu
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fix_set_force_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_set_force_cuda
#include "cuda_shared.h"
#include "cuda_common.h"
#include "crm_cuda_utils.cu"
#include "fix_set_force_cuda_cu.h"
#include "fix_set_force_cuda_kernel.cu"
void Cuda_FixSetForceCuda_UpdateBuffer(cuda_shared_data* sdata)
{
int3 layout = getgrid(sdata->atom.nlocal, 3 * sizeof(F_CFLOAT));
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
int size = (unsigned)(layout.z * layout.y * layout.x) * 3 * sizeof(F_CFLOAT);
if(sdata->buffersize < size) {
MYDBG(printf("Cuda_FixSetForceCuda Resizing Buffer at %p with %i kB to\n", sdata->buffer, sdata->buffersize);)
CudaWrapper_FreeCudaData(sdata->buffer, sdata->buffersize);
sdata->buffer = CudaWrapper_AllocCudaData(size);
sdata->buffersize = size;
sdata->buffer_new++;
MYDBG(printf("New buffer at %p with %i kB\n", sdata->buffer, sdata->buffersize);)
}
cudaMemcpyToSymbol(MY_AP(buffer) , & sdata->buffer, sizeof(int*));
}
void Cuda_FixSetForceCuda_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(x) , & sdata->atom.x .dev_data, sizeof(X_CFLOAT*));
cudaMemcpyToSymbol(MY_AP(f) , & sdata->atom.f .dev_data, sizeof(F_CFLOAT*));
}
void Cuda_FixSetForceCuda_Init(cuda_shared_data* sdata)
{
Cuda_FixSetForceCuda_UpdateNmax(sdata);
}
void Cuda_FixSetForceCuda_PostForce(cuda_shared_data* sdata, int groupbit, F_CFLOAT xvalue, F_CFLOAT yvalue, F_CFLOAT zvalue, F_CFLOAT* foriginal, int flagx, int flagy, int flagz)
{
if(sdata->atom.update_nmax)
Cuda_FixSetForceCuda_UpdateNmax(sdata);
if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
if(sdata->buffer_new)
Cuda_FixSetForceCuda_UpdateBuffer(sdata);
int3 layout = getgrid(sdata->atom.nlocal, 3 * sizeof(F_CFLOAT));
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
Cuda_FixSetForceCuda_PostForce_Kernel <<< grid, threads, threads.x* 3* sizeof(F_CFLOAT)>>> (groupbit, xvalue, yvalue, zvalue, flagx, flagy, flagz);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Cuda_FixSetForceCuda_PostForce: fix add_force post_force compute Kernel execution failed");
int oldgrid = grid.x;
grid.x = 3;
threads.x = 512;
Cuda_FixSetForceCuda_Reduce_FOriginal <<< grid, threads, threads.x* sizeof(F_CFLOAT)>>> (oldgrid, foriginal);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Cuda_FixSetForceCuda_PostForce: fix add_force post_force reduce Kernel execution failed");
}
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