/* ---------------------------------------------------------------------- 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->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_CFLOAT*)); cudaMemcpyToSymbol(MY_AP(v) , & sdata->atom.v .dev_data, sizeof(V_CFLOAT*)); 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_CFLOAT)); cudaMemcpyToSymbol(MY_AP(boxhi) , sdata->domain.boxhi , 3 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(sublo) , sdata->domain.sublo , 3 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(subhi) , sdata->domain.subhi , 3 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(prd) , sdata->domain.prd , 3 * sizeof(X_CFLOAT)); 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_CFLOAT)); cudaMemcpyToSymbol(MY_AP(boxhi_lamda) , sdata->domain.boxhi_lamda , 3 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(prd_lamda) , sdata->domain.prd_lamda , 3 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(h) , sdata->domain.h , 6 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(h_inv) , sdata->domain.h_inv , 6 * sizeof(X_CFLOAT)); cudaMemcpyToSymbol(MY_AP(h_rate) , sdata->domain.h_rate , 6 * sizeof(V_CFLOAT)); 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_CFLOAT); 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_CFLOAT)*grid.x * grid.y > sdata->buffersize))) Cuda_Domain_UpdateBuffer(sdata, layout.x * layout.y * 6 * sizeof(X_CFLOAT)); 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_CFLOAT buf2[6 * layout.x * layout.y]; X_CFLOAT* buf = buf2; int flag; cudaMemcpy(buf, sdata->buffer, 6 * layout.x * layout.y * sizeof(X_CFLOAT), cudaMemcpyDeviceToHost); cudaMemcpy(&flag, sdata->flag, sizeof(int), cudaMemcpyDeviceToHost); //printf("Flag: %i\n",flag); X_CFLOAT 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_CFLOAT); 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_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"); }