forked from lijiext/lammps
94 lines
3.5 KiB
Plaintext
94 lines
3.5 KiB
Plaintext
/* ----------------------------------------------------------------------
|
|
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_add_force_cuda
|
|
#include "cuda_shared.h"
|
|
#include "cuda_common.h"
|
|
|
|
#include "crm_cuda_utils.cu"
|
|
|
|
#include "fix_addforce_cuda_cu.h"
|
|
#include "fix_addforce_cuda_kernel.cu"
|
|
|
|
void Cuda_FixAddForceCuda_UpdateBuffer(cuda_shared_data* sdata)
|
|
{
|
|
int3 layout = getgrid(sdata->atom.nlocal, 4 * 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) * 4 * sizeof(F_CFLOAT);
|
|
|
|
if(sdata->buffersize < size) {
|
|
MYDBG(printf("Cuda_FixAddForceCuda 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_FixAddForceCuda_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_FixAddForceCuda_Init(cuda_shared_data* sdata)
|
|
{
|
|
Cuda_FixAddForceCuda_UpdateNmax(sdata);
|
|
}
|
|
|
|
void Cuda_FixAddForceCuda_PostForce(cuda_shared_data* sdata, int groupbit, F_CFLOAT axvalue, F_CFLOAT ayvalue, F_CFLOAT azvalue, F_CFLOAT* aforiginal)
|
|
{
|
|
if(sdata->atom.update_nmax)
|
|
Cuda_FixAddForceCuda_UpdateNmax(sdata);
|
|
|
|
if(sdata->atom.update_nlocal)
|
|
cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
|
|
|
|
if(sdata->buffer_new)
|
|
Cuda_FixAddForceCuda_UpdateBuffer(sdata);
|
|
|
|
int3 layout = getgrid(sdata->atom.nlocal, 4 * sizeof(F_CFLOAT));
|
|
dim3 threads(layout.z, 1, 1);
|
|
dim3 grid(layout.x, layout.y, 1);
|
|
|
|
Cuda_FixAddForceCuda_PostForce_Kernel <<< grid, threads, threads.x* 4* sizeof(F_CFLOAT)>>> (groupbit, axvalue, ayvalue, azvalue);
|
|
cudaThreadSynchronize();
|
|
CUT_CHECK_ERROR("Cuda_FixAddForceCuda_PostForce: fix add_force post_force Compute Kernel execution failed");
|
|
|
|
int oldgrid = grid.x;
|
|
grid.x = 4;
|
|
threads.x = 512;
|
|
reduce_foriginal <<< grid, threads, threads.x* sizeof(F_CFLOAT)>>> (oldgrid, aforiginal);
|
|
cudaThreadSynchronize();
|
|
CUT_CHECK_ERROR("Cuda_FixAddForceCuda_PostForce: fix add_force post_force Reduce Kernel execution failed");
|
|
|
|
}
|