/* * Copyright (C) NHR@FAU, University Erlangen-Nuremberg. * All rights reserved. This file is part of MD-Bench. * Use of this source code is governed by a LGPL-3.0 * license that can be found in the LICENSE file. */ #include #ifdef CUDA_TARGET void initDevice(Atom *atom, Neighbor *neighbor) { DeviceAtom *d_atom = &(atom->d_atom); DeviceNeighbor *d_neighbor = &(neighbor->d_neighbor); d_atom->epsilon = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); d_atom->sigma6 = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); d_atom->cutneighsq = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); d_atom->cutforcesq = (MD_FLOAT *) allocateGPU(sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); d_neighbor->neighbors = (int *) allocateGPU(sizeof(int) * atom->Nmax * neighbor->maxneighs); d_neighbor->numneigh = (int *) allocateGPU(sizeof(int) * atom->Nmax); memcpyToGPU(d_atom->x, atom->x, sizeof(MD_FLOAT) * atom->Nmax * 3); memcpyToGPU(d_atom->vx, atom->vx, sizeof(MD_FLOAT) * atom->Nmax * 3); memcpyToGPU(d_atom->sigma6, atom->sigma6, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(d_atom->epsilon, atom->epsilon, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(d_atom->cutneighsq, atom->cutneighsq, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(d_atom->cutforcesq, atom->cutforcesq, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(d_atom->type, atom->type, sizeof(int) * atom->Nmax); } #endif