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

#include "gpu_tools.cuh"

Functions
void	checkCudaError (const char *identifier)
	Prints detailed error information of failed cuda functions/kernels.
void	componentSumReduction (FLOAT_ARRAY_TYPE dInData, FLOAT_ARRAY_TYPE dInterData, int numInterData, int numThreads, int N)
	Parallel component wise sum procedure.
__global__ void	copyDevToDev (FLOAT_ARRAY_TYPE dA, FLOAT_ARRAY_TYPE dB, int N)
	Copy an array of vectors on the device.
bool	generateRestartScript (std::string exeName, std::string basename, int dim, int N, int numNN, float T, float k, float boxSize, float dt, int NOffset, int NSim, int NOut, int NAdjust, int gpuDevNo)
	Generates a startup script to continue the simulation.
bool	generateScript (std::string scriptname, std::string exeName, std::string inputfile, std::string basename, int dim, int N, int numNN, float T, float k, float boxSize, float dt, int NOffset, int NSim, int NOut, int NAdjust, int gpuDevNo)
	Generic startup script generator.
bool	generateStartScript (std::string exeName)
	Generates a generic startup script.
float	getHarmonicPotentialEnergy (float dEpot, FLOAT_ARRAY_TYPE dPos, float sum, int cnn, size_t &pitch, int &N, int &numNN, float &k, float &boxSize, dim3 &dimGrid, dim3 &dimBlock, int &maxThreads, int &maxBlocks)
	Calculates total harmonic potential energy.
float	getKineticEnergy (FLOAT_ARRAY_TYPE dVel, int &N, float sumSq, int &maxThreads, int &maxBlocks)
	Calculates total kinetic energy.
float	getLJCutPotentialEnergy (FLOAT_ARRAY_TYPE dPos, float dEpot, float *sum, int &N, float &boxSize, float &rCutSq, dim3 &dimGrid, dim3 &dimBlock, int &maxThreads, int &maxBlocks)
	Calculates the total Lennard-Jones energy of the system.
__global__ void	gpuComponentSumReduce1 (FLOAT_ARRAY_TYPE dInData, FLOAT_ARRAY_TYPE dInterData, int numInterData, int numThreads, int N)
	Kernel for first component wise reduction step.
__global__ void	gpuComponentSumReduce2 (FLOAT_ARRAY_TYPE *dInterData, int numInterData, int numThreads)
	Kernel for second component wise reduction step.
__global__ void	gpuGenerateVerletList (FLOAT_ARRAY_TYPE dPos, int dVlists, size_t pitchDVlists, int dVcount, float dmax, float rListSq, int N, float boxSize, bool *doUpdate)
	Kernel function to generate Verlet lists for all particles.
__global__ void	gpuGenerateVerletListSmem (FLOAT_ARRAY_TYPE dPos, int dVlists, size_t pitchDVlists, int dVcount, float dmax, float rListSq, int N, float boxSize, bool *doUpdate)
	Kernel function to generate Verlet lists for all particles - using registers and shared memory.
__global__ void	gpuGenerateVerletListSmemVar1 (FLOAT_ARRAY_TYPE dPos, int dVlists, size_t pitchDVlists, int dVcount, float dmax, float rListSq, int N, float boxSize, bool *doUpdate)
	Kernel function to generate Verlet lists for all particles - using shared memory.
__global__ void	gpuGenerateVerletListVar1 (FLOAT_ARRAY_TYPE dPos, int dVlists, size_t pitchDVlists, int dVcount, float dmax, float rListSq, int N, float boxSize, bool *doUpdate)
	Kernel function to generate Verlet lists for all particles - using registers.
__global__ void	gpuGetHarmonicPotentialEnergyKernel (float dEpot, FLOAT_ARRAY_TYPE dPos, int *cnn, size_t pitch, int N, int numNN, float k, float boxSize)
	Kernel for harmonic potential.
__global__ void	gpuGetVelOnTime (FLOAT_ARRAY_TYPE dVel, FLOAT_ARRAY_TYPE dVt, FLOAT_ARRAY_TYPE *dForce, int N, float dt)
	Calculates velocities on timestep.
__global__ void	gpuLJCutPotentialEnergyKernel (FLOAT_ARRAY_TYPE dPos, float dEpot, int N, float boxSize, float rCutSq)
	Calculates Lennard-Jones potential within a certrain cutoff.
__global__ void	gpuReduce1 (float dInData, float dInterData, int numInterData, int numThreads, int N)
	Kernel for first sum reduction step.
__global__ void	gpuReduce2 (float *dInterData, int numInterData, int numThreads)
	Kernel for second rsum eduction step.
__global__ void	gpuRemoveDriftKernel (int N, FLOAT_ARRAY_TYPE dVel, FLOAT_ARRAY_TYPE compSum)
	System drift removal kernel.
__global__ void	gpuRescaleTKernel (int N, int dim, float T, FLOAT_ARRAY_TYPE dVel, float vSumSq)
	Temperature rescale kernel function.
__global__ void	gpuSimpleComponentSum (FLOAT_ARRAY_TYPE dVal, FLOAT_ARRAY_TYPE sum, int N)
	One thread kernel for summation.
__global__ void	gpuSimpleSqSum (FLOAT_ARRAY_TYPE dVal, float sqSum, int N)
	One thread kernel for squared summation.
__global__ void	gpuSqSumReduce1 (FLOAT_ARRAY_TYPE dInData, float dInterData, int numInterData, int numThreads, int N)
	Kernel for first squared reduction step.
bool	memInfo ()
	Prints GPU memory usage onto the screen.
void	removeDrift (int N, int numInterData, int numThreads, int threads, int blocks, FLOAT_ARRAY_TYPE dVel, FLOAT_ARRAY_TYPE compSum)
	Remove system drift.
void	rescaleT (int N, int dim, int numInterData, int numThreads, float T, int threads, int blocks, FLOAT_ARRAY_TYPE dVel, float sumSq)
	Rescale the system temperature.
bool	setCudaDevice (int gpuDevNo)
	Set the GPU device.
void	showDeviceArray (FLOAT_ARRAY_TYPE *dArray, int N)
	Prints device vector array onto the screen.
void	showForces (FLOAT_ARRAY_TYPE *hForce, int &N)
	Prints particle forces onto the screen.
void	showNeareastNeighborList (int *dNNListArray, int &N, int &numNN)
	Prints device neareast neighbor list array onto the screen.
void	showPositions (FLOAT_ARRAY_TYPE *hPos, int N)
	Prints particle positions onto the screen.
void	showVelocities (FLOAT_ARRAY_TYPE *hVel, int &N)
	Prints particle velocities onto the screen.
void	showVerletList (int dVlists, size_t pitchVlists, int dVcount, int N, int NList)
	Prints device Verlet list array onto the screen.
void	SqVecSumReduction (FLOAT_ARRAY_TYPE dInData, float dInterData, int numInterData, int numThreads, int N)
	Parallel squared vector sum procedure.
void	sumReduction (float dInData, float dInterData, int numInterData, int numThreads, int N)
	Parallel summation procedure.

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 gpu_tools.cu.

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

Functions

Detailed Description