#include <iostream>
#include <fstream>
#include <string>
#include <cmath>
#include <assert.h>
#include <cstdlib>
#include <limits>
#include <cuda.h>
#include <ctime>
#include "gpu_forces.cuh"
#include "gpu_integrator.cuh"
#include "gpu_tools.cuh"
#include "define.h"
#include "data.h"
#include <cstring>
#include "tests.cuh"
Go to the source code of this file.
Functions | |
int | main (int argc, char *argv[]) |
Main function. |
mdgpu - a molecular dynamic simulation program using GPUs
Copyright (C) 2010 Julian P. Engel
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program 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 General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see <http://www.gnu.org/licenses/>.
Definition in file main.cu.
int main | ( | int | argc, | |
char * | argv[] | |||
) |
Used to build up the molecular dynamics simulation loop.
[in] | argc | Number of command line arguments. Have to be 14 and in the following order. In case of unsufficient passed arguments the program will stop. | ||||||||||||||||||||||||||||
[in] | argv | This array holds the 14 command line arguments:
|
Build in fixed parameters:
rCut | cutoff radius of the Lennard-Jones potential set to |
rVer | cutoff radius for the Verlet list of each particle: |
numPointsPerDecade | Number of points per decade in logarithmic output. |
threads | Maxium number of threads per thread block on the GPU is set to |
redM | Number of values after first level of reduction is set to |
redN | Number of threads for second reduction level set to |
Definition at line 64 of file main.cu.
References checkCudaError(), FLOAT_ARRAY_TYPE, generateStartScript(), gpuGenerateVerletListSmem(), loadInitData(), memInfo(), removeDrift(), rescaleT(), setCudaDevice(), and writeData().