MD-Bench/lammps/device.c
2022-09-05 10:39:42 +02:00

87 lines
3.1 KiB
C

/*
* 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 <stdio.h>
#include <stdlib.h>
//---
#include <device.h>
#ifdef CUDA_TARGET
#include <cuda_runtime.h>
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