/* ---------------------------------------------------------------------- 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_temp_rescale_cuda #include "cuda_shared.h" #include "cuda_common.h" #include "crm_cuda_utils.cu" #include "fix_temp_rescale_cuda_cu.h" #include "fix_temp_rescale_cuda_kernel.cu" void Cuda_FixTempRescaleCuda_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(v) , & sdata->atom.v .dev_data, sizeof(X_CFLOAT*)); } void Cuda_FixTempRescaleCuda_Init(cuda_shared_data* sdata) { Cuda_FixTempRescaleCuda_UpdateNmax(sdata); } void Cuda_FixTempRescaleCuda_EndOfStep(cuda_shared_data* sdata, int groupbit, double afactor) { V_CFLOAT factor = afactor; //if(sdata->atom.update_nmax) //fix temp rescale is usually not called every timestep so it might miss an update step Cuda_FixTempRescaleCuda_UpdateNmax(sdata); //if(sdata->atom.update_nlocal) //cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int) ); int3 layout = getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); Cuda_FixTempRescaleCuda_EndOfStep_Kernel <<< grid, threads, 0>>> (groupbit, factor); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_Cuda_FixTempRescaleCuda_PostForce: fix add_force post_force compute Kernel execution failed"); }