Perform Nanoindentation on Al-Mg Alloy: Difference between revisions
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==Prepare The Al-Mg Alloy Sample== |
==Prepare The Al-Mg Alloy Sample== |
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In this note, we will use the following geometric parameters as an example, to show how to perform nanoindentation MD simulation in LAMMPS: |
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Go to the LAMMPS website (http://lammps.sandia.gov/download.html) and download the most recent stable version of the code. Put it in your Codes directory and unzip it |
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tar -zxvf lammps-stable.tar.gz |
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: Weight percentage: 0.6% (~0.67% atomic percentage) |
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'''or''' |
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: Simulation Box: 32.4x32.4x32.4nm (free surface on z-direction, pbc on x- and y-directions) |
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: Indenter radius: 16.2nm |
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The following command can be used to checkout a specific reversion of LAMMPS from our '''svn''' server. |
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svn checkout -r 23 http://micro.stanford.edu/svn/LAMMPS ~/Codes/LAMMPS.svn/ |
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1. Copy Makefile.mc2 into Codes/LAMMPS.svn/src/MAKE/ directory using the following commands |
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cd ~/Codes/LAMMPS |
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wget http://micro.stanford.edu/mediawiki/images/f/fb/Makefile.mc2.txt -O ./src/MAKE/Makefile.mc2 |
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2. In any directory, type the following command |
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Export TARGET=sherlock |
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(or add it to your bash_profile not to have to type it every time you connect to the cluster) |
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3. In your home directory, make a folder named '''usr''' |
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mkdir ~/usr |
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4. Download the fftw library and unzip it using the following commands |
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cd ~/usr |
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wget http://micro.stanford.edu/mediawiki/images/9/9e/Fftw.tar -O fftw.tar |
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tar –zxvf fftw.tar |
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5. Make sure you have the modules for using '''mpi''' complier and '''cuda''', you can load the modules by adding the below two lines to your '''bash_profile''' file. |
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vi ~/.bash_profile (You can use whatever text editor to open the file and add the following lines) |
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module load mpich/3.1.4 |
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module load cuda |
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Save the file and log out. Next time when you log in, the compilers should work for you. |
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==Perform MD Simulation of Nanoindentation on The Alloy Sample== |
==Perform MD Simulation of Nanoindentation on The Alloy Sample== |
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Revision as of 04:47, 18 May 2017
Perform Nanoindentation on an Aluminum-Magnesium Alloy
Yifan Wang
Created May 2017
This tutorial explains how to create an FCC sample of Al-Mg alloy and perform nanoindentation on the sample in LAMMPS.
Prerequisite
For this simulation, we will use the LAMMPS 5 Nov 2016 version. The newer version may have changes of the commands. When compiling LAMMPS, please switch on the package MANYBODY in order to use the EAM potential. More details about compiling LAMMPS, please see the manual page (http://lammps.sandia.gov/doc/Section_start.html) for more information.
Prepare The Al-Mg Alloy Sample
In this note, we will use the following geometric parameters as an example, to show how to perform nanoindentation MD simulation in LAMMPS:
- Weight percentage: 0.6% (~0.67% atomic percentage)
- Simulation Box: 32.4x32.4x32.4nm (free surface on z-direction, pbc on x- and y-directions)
- Indenter radius: 16.2nm
==
Perform MD Simulation of Nanoindentation on The Alloy Sample
You need first to build the GPU library. Go to your lammps/lib/gpu folder. Copy the generic linux makefile
cd ~/Codes/LAMMPS/lib/gpu cp Makefile.linux Makefile.sherlock
You have to modify 3 lines in this file. Open it and replace the values of CUDA_HOME, CUDA_ARCH and CUDA_PREC with the following
vi Makefile.sherlock
CUDA_HOME = /share/sw/free/cuda/6.5 CUDA_ARCH = -arch=sm_35 CUDA_PREC = -D_DOUBLE_DOUBLE