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domain.cu
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Tue, Nov 12, 10:41
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rLAMMPS lammps
domain.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 domain
#include "cuda_shared.h"
#include "cuda_common.h"
#include "crm_cuda_utils.cu"
#include "domain_cu.h"
#include "domain_kernel.cu"
void Cuda_Domain_UpdateBuffer(cuda_shared_data* sdata, int size)
{
if(sdata->buffersize < size) {
MYDBG(printf("Cuda_Domain 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_Domain_UpdateNmax(cuda_shared_data* sdata)
{
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_FLOAT*));
cudaMemcpyToSymbol(MY_AP(v) , & sdata->atom.v .dev_data, sizeof(V_FLOAT*));
cudaMemcpyToSymbol(MY_AP(mask) , & sdata->atom.mask .dev_data, sizeof(int*));
cudaMemcpyToSymbol(MY_AP(tag) , & sdata->atom.tag .dev_data, sizeof(int*));
cudaMemcpyToSymbol(MY_AP(image) , & sdata->atom.image.dev_data, sizeof(int*));
}
void Cuda_Domain_UpdateDomain(cuda_shared_data* sdata)
{
cudaMemcpyToSymbol(MY_AP(boxlo) , sdata->domain.boxlo , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(boxhi) , sdata->domain.boxhi , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(sublo) , sdata->domain.sublo , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(subhi) , sdata->domain.subhi , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(prd) , sdata->domain.prd , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(periodicity) , sdata->domain.periodicity , 3 * sizeof(int));
cudaMemcpyToSymbol(MY_AP(triclinic) , & sdata->domain.triclinic , sizeof(int));
cudaMemcpyToSymbol(MY_AP(boxlo_lamda) , sdata->domain.boxlo_lamda , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(boxhi_lamda) , sdata->domain.boxhi_lamda , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(prd_lamda) , sdata->domain.prd_lamda , 3 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(h) , sdata->domain.h , 6 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(h_inv) , sdata->domain.h_inv , 6 * sizeof(X_FLOAT));
cudaMemcpyToSymbol(MY_AP(h_rate) , sdata->domain.h_rate , 6 * sizeof(V_FLOAT));
cudaMemcpyToSymbol(MY_AP(flag) , &sdata->flag , sizeof(int*));
cudaMemcpyToSymbol(MY_AP(debugdata) , &sdata->debugdata , sizeof(int*));
}
void Cuda_Domain_Init(cuda_shared_data* sdata)
{
Cuda_Domain_UpdateNmax(sdata);
Cuda_Domain_UpdateDomain(sdata);
}
void Cuda_Domain_PBC(cuda_shared_data* sdata, int deform_remap, int deform_groupbit, double* extent)
{
Cuda_Domain_UpdateNmax(sdata);
//if(sdata->domain.update)
Cuda_Domain_UpdateDomain(sdata);
cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
int box_change = 0;
if(extent) box_change = 1;
int sharedmem = 0;
if(box_change) sharedmem = 6 * sizeof(X_FLOAT);
int3 layout = getgrid(sdata->atom.nlocal, sharedmem);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
sharedmem *= threads.x;
if((box_change) && (sdata->buffer_new or (6 * sizeof(X_FLOAT)*grid.x * grid.y > sdata->buffersize)))
Cuda_Domain_UpdateBuffer(sdata, layout.x * layout.y * 6 * sizeof(X_FLOAT));
Domain_PBC_Kernel <<< grid, threads, sharedmem>>>(deform_remap, deform_groupbit, box_change);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Domain_PBC: Kernel execution failed");
if(box_change) {
X_FLOAT buf2[6 * layout.x * layout.y];
X_FLOAT* buf = buf2;
int flag;
cudaMemcpy(buf, sdata->buffer, 6 * layout.x * layout.y * sizeof(X_FLOAT), cudaMemcpyDeviceToHost);
cudaMemcpy(&flag, sdata->flag, sizeof(int), cudaMemcpyDeviceToHost);
//printf("Flag: %i\n",flag);
X_FLOAT min, max;
min = 1.0 * BIG;
max = -1.0 * BIG;
for(int i = 0; i < layout.x * layout.y; i++) {
if(buf[i] < min) min = buf[i];
if(buf[i + layout.x * layout.y] > max) max = buf[i + layout.x * layout.y];
}
extent[0] = min;
extent[1] = max;
buf += 2 * layout.x * layout.y;
min = 1.0 * BIG;
max = -1.0 * BIG;
for(int i = 0; i < layout.x * layout.y; i++) {
if(buf[i] < min) min = buf[i];
if(buf[i + layout.x * layout.y] > max) max = buf[i + layout.x * layout.y];
}
extent[2] = min;
extent[3] = max;
buf += 2 * layout.x * layout.y;
min = 1.0 * BIG;
max = -1.0 * BIG;
for(int i = 0; i < layout.x * layout.y; i++) {
if(buf[i] < min) min = buf[i];
if(buf[i + layout.x * layout.y] > max) max = buf[i + layout.x * layout.y];
}
extent[4] = min;
extent[5] = max;
//printf("Extent: %lf %lf %lf %lf %lf %lf\n",extent[0],extent[1],extent[2],extent[3],extent[4],extent[5]);
/* int n=grid.x*grid.y;
if(n<128) threads.x=32;
else if(n<256) threads.x=64;
else threads.x=128;
sharedmem=n*sizeof(X_FLOAT);
grid.x=6;
grid.y=1;
Domain_reduceBoxExtent<<<grid, threads,sharedmem>>>(extent,n);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Domain_reduceBoxExtent: Kernel execution failed");*/
}
}
void Cuda_Domain_lamda2x(cuda_shared_data* sdata, int n)
{
Cuda_Domain_UpdateNmax(sdata);
//if(sdata->domain.update)
Cuda_Domain_UpdateDomain(sdata);
cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
int3 layout = getgrid(n);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
Domain_lamda2x_Kernel <<< grid, threads, 0>>>(n);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Domain_lamda2x: Kernel execution failed");
}
void Cuda_Domain_x2lamda(cuda_shared_data* sdata, int n)
{
Cuda_Domain_UpdateNmax(sdata);
//if(sdata->domain.update)
Cuda_Domain_UpdateDomain(sdata);
cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int));
int3 layout = getgrid(n);
dim3 threads(layout.z, 1, 1);
dim3 grid(layout.x, layout.y, 1);
Domain_x2lamda_Kernel <<< grid, threads, 0>>>(n);
cudaThreadSynchronize();
CUT_CHECK_ERROR("Cuda_Domain_x2lamda: Kernel execution failed");
}
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