lammps/lib/cuda/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_FLOAT));
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_FLOAT);
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_CONST(buffer) , & sdata->buffer, sizeof(int*) );
}
void Cuda_FixSetForceCuda_UpdateNmax(cuda_shared_data* sdata)
{
cudaMemcpyToSymbol(MY_CONST(mask) , & sdata->atom.mask .dev_data, sizeof(int*) );
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
cudaMemcpyToSymbol(MY_CONST(nmax) , & sdata->atom.nmax , sizeof(int) );
cudaMemcpyToSymbol(MY_CONST(x) , & sdata->atom.x .dev_data, sizeof(X_FLOAT*) );
cudaMemcpyToSymbol(MY_CONST(f) , & sdata->atom.f .dev_data, sizeof(F_FLOAT*) );
}
void Cuda_FixSetForceCuda_Init(cuda_shared_data* sdata)
{
Cuda_FixSetForceCuda_UpdateNmax(sdata);
}
void Cuda_FixSetForceCuda_PostForce(cuda_shared_data* sdata, int groupbit,F_FLOAT xvalue,F_FLOAT yvalue,F_FLOAT zvalue,F_FLOAT* foriginal,int flagx,int flagy,int flagz)
{
if(sdata->atom.update_nmax)
Cuda_FixSetForceCuda_UpdateNmax(sdata);
if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
if(sdata->buffer_new)
Cuda_FixSetForceCuda_UpdateBuffer(sdata);
int3 layout=getgrid(sdata->atom.nlocal,3*sizeof(F_FLOAT));
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
Cuda_FixSetForceCuda_PostForce_Kernel<<<grid, threads,threads.x*3*sizeof(F_FLOAT)>>> (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_FLOAT)>>> (oldgrid,foriginal);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Cuda_FixSetForceCuda_PostForce: fix add_force post_force reduce Kernel execution failed");
}