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