/* ---------------------------------------------------------------------- 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 #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->buffersizebuffer,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_Domain_UpdateNmax(cuda_shared_data* sdata) { 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(v) , & sdata->atom.v .dev_data, sizeof(V_FLOAT*) ); cudaMemcpyToSymbol(MY_CONST(mask) , & sdata->atom.mask .dev_data, sizeof(int*) ); cudaMemcpyToSymbol(MY_CONST(tag) , & sdata->atom.tag .dev_data, sizeof(int*) ); cudaMemcpyToSymbol(MY_CONST(image) , & sdata->atom.image.dev_data, sizeof(int*) ); } void Cuda_Domain_UpdateDomain(cuda_shared_data* sdata) { cudaMemcpyToSymbol(MY_CONST(boxlo) , sdata->domain.boxlo , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(boxhi) , sdata->domain.boxhi , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(sublo) , sdata->domain.sublo , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(subhi) , sdata->domain.subhi , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(prd) , sdata->domain.prd , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(periodicity) , sdata->domain.periodicity , 3*sizeof(int)); cudaMemcpyToSymbol(MY_CONST(triclinic) , & sdata->domain.triclinic , sizeof(int) ); cudaMemcpyToSymbol(MY_CONST(boxlo_lamda) , sdata->domain.boxlo_lamda , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(boxhi_lamda) , sdata->domain.boxhi_lamda , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(prd_lamda) , sdata->domain.prd_lamda , 3*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(h) , sdata->domain.h , 6*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(h_inv) , sdata->domain.h_inv , 6*sizeof(X_FLOAT)); cudaMemcpyToSymbol(MY_CONST(h_rate) , sdata->domain.h_rate , 6*sizeof(V_FLOAT)); cudaMemcpyToSymbol(MY_CONST(flag) , &sdata->flag , sizeof(int*)); cudaMemcpyToSymbol(MY_CONST(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_CONST(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<<>>(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;imax) 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;imax) 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;imax) 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<<>>(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_CONST(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<<>>(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_CONST(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<<>>(n); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_Domain_x2lamda: Kernel execution failed"); }