/* * Copyright (C) 2022 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 #include //--- #include #ifdef CUDA_TARGET #include void cuda_assert(const char *label, cudaError_t err) { if (err != cudaSuccess) { printf("[CUDA Error]: %s: %s\r\n", label, cudaGetErrorString(err)); exit(-1); } } void *allocateGPU(size_t bytesize) { void *ptr; #ifdef CUDA_HOST_MEMORY cuda_assert("allocateGPU", cudaMallocHost((void **) &ptr, bytesize)); #else cuda_assert("allocateGPU", cudaMalloc((void **) &ptr, bytesize)); #endif return ptr; } // Data is not preserved void *reallocateGPU(void *ptr, size_t new_bytesize) { if(ptr != NULL) { #ifdef CUDA_HOST_MEMORY cudaFreeHost(ptr); #else cudaFree(ptr); #endif } return allocateGPU(new_bytesize); } void memcpyToGPU(void *d_ptr, void *h_ptr, size_t bytesize) { #ifndef CUDA_HOST_MEMORY cuda_assert("memcpyToGPU", cudaMemcpy(d_ptr, h_ptr, bytesize, cudaMemcpyHostToDevice)); #endif } void memcpyFromGPU(void *h_ptr, void *d_ptr, size_t bytesize) { #ifndef CUDA_HOST_MEMORY cuda_assert("memcpyFromGPU", cudaMemcpy(h_ptr, d_ptr, bytesize, cudaMemcpyDeviceToHost)); #endif } void memsetGPU(void *d_ptr, int value, size_t bytesize) { cuda_assert("memsetGPU", cudaMemset(d_ptr, value, bytesize)); } 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->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->cutforcesq, atom->cutforcesq, sizeof(MD_FLOAT) * atom->ntypes * atom->ntypes); memcpyToGPU(d_atom->type, atom->type, sizeof(int) * atom->Nmax); } #else void initDevice(Atom *atom, Neighbor *neighbor) {} void *allocateGPU(size_t bytesize) { return NULL; } void *reallocateGPU(void *ptr, size_t new_bytesize) { return NULL; } void memcpyToGPU(void *d_ptr, void *h_ptr, size_t bytesize) {} void memcpyFromGPU(void *h_ptr, void *d_ptr, size_t bytesize) {} void memsetGPU(void *d_ptr, int value, size_t bytesize) {} #endif