/* ---------------------------------------------------------------------- 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_ave_force_cuda #include "cuda_shared.h" #include "cuda_common.h" #include "crm_cuda_utils.cu" #include "fix_aveforce_cuda_cu.h" #include "fix_aveforce_cuda_kernel.cu" void Cuda_FixAveForceCuda_UpdateBuffer(cuda_shared_data* sdata) { int3 layout=getgrid(sdata->atom.nlocal,4*sizeof(F_FLOAT)); 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_FLOAT); 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_FixAveForceCuda_UpdateNmax(cuda_shared_data* sdata) { cudaMemcpyToSymbol(MY_CONST(mask) , & sdata->atom.mask .dev_data, sizeof(int*) ); 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(f) , & sdata->atom.f .dev_data, sizeof(F_FLOAT*) ); } void Cuda_FixAveForceCuda_Init(cuda_shared_data* sdata) { Cuda_FixAveForceCuda_UpdateNmax(sdata); } void Cuda_FixAveForceCuda_PostForce_FOrg(cuda_shared_data* sdata, int groupbit,F_FLOAT* aforiginal) { if(sdata->atom.update_nmax) Cuda_FixAveForceCuda_UpdateNmax(sdata); if(sdata->atom.update_nlocal) cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) ); if(sdata->buffer_new) Cuda_FixAveForceCuda_UpdateBuffer(sdata); int3 layout=getgrid(sdata->atom.nlocal,4*sizeof(F_FLOAT)); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); Cuda_FixAveForceCuda_PostForce_FOrg_Kernel<<>> (groupbit); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_FixAveForceCuda_PostForce: fix ave_force post_force Compute Kernel execution failed"); int oldgrid=grid.x; grid.x=4; threads.x=512; Cuda_FixAveForceCuda_reduce_foriginal<<>> (oldgrid,aforiginal); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_FixAveForceCuda_PostForce: fix ave_force post_force Reduce Kernel execution failed"); } void Cuda_FixAveForceCuda_PostForce_Set(cuda_shared_data* sdata, int groupbit,int xflag,int yflag,int zflag,F_FLOAT axvalue,F_FLOAT ayvalue,F_FLOAT azvalue) { int3 layout=getgrid(sdata->atom.nlocal); dim3 threads(layout.z, 1, 1); dim3 grid(layout.x, layout.y, 1); Cuda_FixAveForceCuda_PostForce_Set_Kernel<<>> (groupbit,xflag,yflag,zflag,axvalue,ayvalue,azvalue); cudaThreadSynchronize(); CUT_CHECK_ERROR("Cuda_FixAveForceCuda_PostForce_Set: fix ave_force post_force Compute Kernel execution failed"); }