/home/julian/svn/gpucpumd/mdgpu2/main.cu File Reference

#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.

---

Detailed Description

Author:

Julian P. Engel

Date:

08.06.2010

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.

---

Function Documentation

int main	(	int	argc,
		char *	argv[]
	)

Used to build up the molecular dynamics simulation loop.

Parameters:

[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: inputfile inputdata file name basename Output base name dim System dimension N Number of particles given as command line argument numNN maximum number of coupled nearest neighbors T Temperature k spring constant boxSize edge length of the simulation box dt timestep NOffset simulation step count offset NSim final simulation step count NOut output intervall NAdjust NVT velocity scaling and drift removal intervall gpuDevNo use specific gpu device

Returns:

Return value is either zero for successful finished runs or non-zero else.

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 (could be up to 512).
redM	Number of values after first level of reduction is set to . It should always be a multiple of to occupy full blocks in the second reduction level.
redN	Number of threads for second reduction level set to (maximum: ).

Definition at line 64 of file main.cu.

References checkCudaError(), FLOAT_ARRAY_TYPE, generateStartScript(), gpuGenerateVerletListSmem(), loadInitData(), memInfo(), removeDrift(), rescaleT(), setCudaDevice(), and writeData().