/* ---------------------------------------------------------------------- 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 compute_temp_partial_cuda #include "cuda_shared.h" #include "cuda_common.h" #include "crm_cuda_utils.cu" #include "compute_temp_partial_cuda_cu.h" #include "compute_temp_partial_cuda_kernel.cu" void Cuda_ComputeTempPartialCuda_UpdateBuffer(cuda_shared_data* sdata) { int size = (unsigned)((sdata->atom.nlocal + 63) / 64.0) * 6 * sizeof(ENERGY_FLOAT); if(sdata->buffersize < size) { MYDBG(printf("Cuda_ComputeTempPartialCuda 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_ComputeTempPartialCuda_UpdateNmax(cuda_shared_data* sdata) { cudaMemcpyToSymbol(MY_AP(mask) , & sdata->atom.mask .dev_data, sizeof(int*)); cudaMemcpyToSymbol(MY_AP(mass) , & sdata->atom.mass .dev_data, sizeof(V_FLOAT*)); if(sdata->atom.rmass_flag) cudaMemcpyToSymbol(MY_AP(rmass) , & sdata->atom.rmass.dev_data, sizeof(V_FLOAT*)); cudaMemcpyToSymbol(MY_AP(rmass_flag) , & sdata->atom.rmass_flag, 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(V_FLOAT*)); cudaMemcpyToSymbol(MY_AP(type) , & sdata->atom.type .dev_data, sizeof(int*)); } void Cuda_ComputeTempPartialCuda_Init(cuda_shared_data* sdata) { Cuda_ComputeTempPartialCuda_UpdateNmax(sdata); } void Cuda_ComputeTempPartialCuda_Vector(cuda_shared_data* sdata, int groupbit, ENERGY_FLOAT* t, int xflag, int yflag, int zflag) { //if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary Cuda_ComputeTempPartialCuda_UpdateNmax(sdata); //if(sdata->atom.update_nlocal) cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int)); //if(sdata->buffer_new) Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata); int3 layout = getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); if(sdata->atom.nlocal > 0) { Cuda_ComputeTempPartialCuda_Vector_Kernel <<< grid, threads, threads.x* 6* sizeof(ENERGY_FLOAT)>>> (groupbit, xflag, yflag, zflag); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Vector: compute_vector Kernel execution failed"); int oldgrid = grid.x * grid.y; grid.x = 6; threads.x = 512; Cuda_ComputeTempPartialCuda_Reduce_Kernel <<< grid, threads, threads.x* sizeof(ENERGY_FLOAT)>>> (oldgrid, t); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Vector: reduce_vector Kernel execution failed"); } } void Cuda_ComputeTempPartialCuda_Scalar(cuda_shared_data* sdata, int groupbit, ENERGY_FLOAT* t, int xflag, int yflag, int zflag) { //if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary Cuda_ComputeTempPartialCuda_UpdateNmax(sdata); //if(sdata->atom.update_nlocal) cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int)); //if(sdata->buffer_new) Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata); MYDBG(printf("#CUDA ComputeTempPartialCuda_Scalar: %i\n", sdata->atom.nlocal);) int3 layout = getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); if(sdata->atom.nlocal > 0) { CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: pre compute_scalar Kernel"); Cuda_ComputeTempPartialCuda_Scalar_Kernel <<< grid, threads, threads.x* sizeof(ENERGY_FLOAT)>>> (groupbit, xflag, yflag, zflag); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: compute_scalar Kernel execution failed"); int oldgrid = grid.x * grid.y; grid.x = 1; threads.x = 512; Cuda_ComputeTempPartialCuda_Reduce_Kernel <<< grid, threads, threads.x* sizeof(ENERGY_FLOAT)>>> (oldgrid, t); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_Scalar: reduce_scalar Kernel execution failed"); } } void Cuda_ComputeTempPartialCuda_RemoveBiasAll(cuda_shared_data* sdata, int groupbit, int xflag, int yflag, int zflag, void* vbiasall) { //if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary Cuda_ComputeTempPartialCuda_UpdateNmax(sdata); //if(sdata->atom.update_nlocal) cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int)); //if(sdata->buffer_new) Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata); int3 layout = getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); if(sdata->atom.nlocal > 0) { Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel <<< grid, threads, 0>>> (groupbit, xflag, yflag, zflag, (V_FLOAT*) vbiasall); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_RemoveBiasAll: compute_vector Kernel execution failed"); } } void Cuda_ComputeTempPartialCuda_RestoreBiasAll(cuda_shared_data* sdata, int groupbit, int xflag, int yflag, int zflag, void* vbiasall) { //if(sdata->atom.update_nmax) //is most likely not called every timestep, therefore update of constants is necessary Cuda_ComputeTempPartialCuda_UpdateNmax(sdata); //if(sdata->atom.update_nlocal) cudaMemcpyToSymbol(MY_AP(nlocal) , & sdata->atom.nlocal , sizeof(int)); //if(sdata->buffer_new) Cuda_ComputeTempPartialCuda_UpdateBuffer(sdata); int3 layout = getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); if(sdata->atom.nlocal > 0) { Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel <<< grid, threads, 0>>> (groupbit, xflag, yflag, zflag, (V_FLOAT*) vbiasall); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_ComputeTempPartialCuda_RemoveBiasAll: compute_vector Kernel execution failed"); } }