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lammps/lib/cuda/compute_temp_partial_cuda.cu
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compute_temp_partial_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 compute_temp_partial_cuda
#include "cuda_shared.h"
#include "cuda_common.h"
#include "crm_cuda_utils.cu"
#include "compute_temp_partial_cuda_cu.h"
#include "compute_temp_partial_cuda_kernel.cu"
void Cuda_ComputeTempPartialCuda_UpdateBuffer(cuda_shared_data* sdata)
{
int size=(unsigned)((sdata->atom.nlocal+63)/64.0)*6*sizeof(ENERGY_FLOAT);
if(sdata->buffersize<size)
{
MYDBG(printf("Cuda_ComputeTempPartialCuda 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_ComputeTempPartialCuda_UpdateNmax(cuda_shared_data* sdata)
{
cudaMemcpyToSymbol(MY_CONST(mask) , & sdata->atom.mask .dev_data, sizeof(int*) );
cudaMemcpyToSymbol(MY_CONST(mass) , & sdata->atom.mass .dev_data, sizeof(V_FLOAT*) );
if(sdata->atom.rmass_flag)
cudaMemcpyToSymbol(MY_CONST(rmass) , & sdata->atom.rmass.dev_data, sizeof(V_FLOAT*) );
cudaMemcpyToSymbol(MY_CONST(rmass_flag) , & sdata->atom.rmass_flag, sizeof(int) );
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
cudaMemcpyToSymbol(MY_CONST(nmax) , & sdata->atom.nmax , sizeof(int) );
cudaMemcpyToSymbol(MY_CONST(v) , & sdata->atom.v .dev_data, sizeof(V_FLOAT*) );
cudaMemcpyToSymbol(MY_CONST(type) , & sdata->atom.type .dev_data, sizeof(int*) );
}
void Cuda_ComputeTempPartialCuda_Init(cuda_shared_data* sdata)
{
Cuda_ComputeTempPartialCuda_UpdateNmax(sdata);
}
void Cuda_ComputeTempPartialCuda_Vector(cuda_shared_data* sdata, int groupbit,ENERGY_FLOAT* t,int xflag,int yflag,int zflag)
{
//if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary
Cuda_ComputeTempPartialCuda_UpdateNmax(sdata);
//if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
//if(sdata->buffer_new)
Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata);
int3 layout=getgrid(sdata->atom.nlocal);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
if(sdata->atom.nlocal>0)
{
Cuda_ComputeTempPartialCuda_Vector_Kernel<<<grid, threads,threads.x*6*sizeof(ENERGY_FLOAT)>>> (groupbit,xflag,yflag,zflag);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Vector: compute_vector Kernel execution failed");
int oldgrid=grid.x*grid.y;
grid.x=6;
threads.x=512;
Cuda_ComputeTempPartialCuda_Reduce_Kernel<<<grid, threads,threads.x*sizeof(ENERGY_FLOAT)>>> (oldgrid,t);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Vector: reduce_vector Kernel execution failed");
}
}
void Cuda_ComputeTempPartialCuda_Scalar(cuda_shared_data* sdata, int groupbit,ENERGY_FLOAT* t,int xflag,int yflag,int zflag)
{
//if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary
Cuda_ComputeTempPartialCuda_UpdateNmax(sdata);
//if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
//if(sdata->buffer_new)
Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata);
MYDBG(printf("#CUDA ComputeTempPartialCuda_Scalar: %i\n",sdata->atom.nlocal);)
int3 layout=getgrid(sdata->atom.nlocal);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
if(sdata->atom.nlocal>0)
{
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: pre compute_scalar Kernel");
Cuda_ComputeTempPartialCuda_Scalar_Kernel<<<grid, threads,threads.x*sizeof(ENERGY_FLOAT)>>> (groupbit,xflag,yflag,zflag);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: compute_scalar Kernel execution failed");
int oldgrid=grid.x*grid.y;
grid.x=1;
threads.x=512;
Cuda_ComputeTempPartialCuda_Reduce_Kernel<<<grid, threads,threads.x*sizeof(ENERGY_FLOAT)>>> (oldgrid,t);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: reduce_scalar Kernel execution failed");
}
}
void Cuda_ComputeTempPartialCuda_RemoveBiasAll(cuda_shared_data* sdata, int groupbit,int xflag,int yflag,int zflag,void* vbiasall)
{
//if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary
Cuda_ComputeTempPartialCuda_UpdateNmax(sdata);
//if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
//if(sdata->buffer_new)
Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata);
int3 layout=getgrid(sdata->atom.nlocal);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
if(sdata->atom.nlocal>0)
{
Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel<<<grid, threads,0>>> (groupbit,xflag,yflag,zflag,(V_FLOAT*) vbiasall);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_RemoveBiasAll: compute_vector Kernel execution failed");
}
}
void Cuda_ComputeTempPartialCuda_RestoreBiasAll(cuda_shared_data* sdata, int groupbit,int xflag,int yflag,int zflag,void* vbiasall)
{
//if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary
Cuda_ComputeTempPartialCuda_UpdateNmax(sdata);
//if(sdata->atom.update_nlocal)
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
//if(sdata->buffer_new)
Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata);
int3 layout=getgrid(sdata->atom.nlocal);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
if(sdata->atom.nlocal>0)
{
Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel<<<grid, threads,0>>> (groupbit,xflag,yflag,zflag,(V_FLOAT*) vbiasall);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_RemoveBiasAll: compute_vector Kernel execution failed");
}
}
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