/* * ======================================================================================= * * Author: Jan Eitzinger (je), jan.eitzinger@fau.de * Copyright (c) 2020 RRZE, University Erlangen-Nuremberg * * This file is part of MD-Bench. * * MD-Bench is free software: you can redistribute it and/or modify it * under the terms of the GNU Lesser General Public License as published * by the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * MD-Bench is distributed in the hope that it will be useful, but WITHOUT ANY * WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A * PARTICULAR PURPOSE. See the GNU Lesser General Public License for more * details. * * You should have received a copy of the GNU Lesser General Public License along * with MD-Bench. If not, see . * ======================================================================================= */ extern "C" { #include #include //--- #include #include #include #include void initCuda(Atom *atom, Neighbor *neighbor, Atom *c_atom, Neighbor *c_neighbor) { c_atom->Natoms = atom->Natoms; c_atom->Nlocal = atom->Nlocal; c_atom->Nghost = atom->Nghost; c_atom->Nmax = atom->Nmax; c_atom->ntypes = atom->ntypes; c_atom->border_map = NULL; c_atom->x = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->Nmax * 3); c_atom->vx = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->Nmax * 3); c_atom->fx = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->Nmax * 3); c_atom->epsilon = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); c_atom->sigma6 = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); c_atom->cutforcesq = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); c_atom->type = (int *) allocateGPU(sizeof(int) * atom->Nmax * 3); c_neighbor->neighbors = (int *) allocateGPU(sizeof(int) * atom->Nmax * neighbor->maxneighs); c_neighbor->numneigh = (int *) allocateGPU(sizeof(int) * atom->Nmax); memcpyToGPU(c_atom->x, atom->x, sizeof(MD_FLOAT) * atom->Nmax * 3); memcpyToGPU(c_atom->vx, atom->vx, sizeof(MD_FLOAT) * atom->Nmax * 3); memcpyToGPU(c_atom->sigma6, atom->sigma6, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(c_atom->epsilon, atom->epsilon, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(c_atom->cutforcesq, atom->cutforcesq, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(c_atom->type, atom->type, sizeof(int) * atom->Nmax); } void cuda_assert(const char *label, cudaError_t err) { if (err != cudaSuccess) { printf("[CUDA Error]: %s: %s\r\n", label, cudaGetErrorString(err)); exit(-1); } } }