/* ---------------------------------------------------------------------- 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 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"); }