Lammps

Main.Lammps History

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November 13, 2017, at 04:55 PM by 172.25.203.204 -
November 13, 2017, at 04:53 PM by 172.25.203.204 -
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* Attach:lammps-template-cs-cluster-jsdl
November 13, 2017, at 04:45 PM by 172.25.203.204 -
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* Attach:lammps-template-rivanna
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* Attach:lammps-template-rivanna (rivanna-bes is currently going through updates)
November 13, 2017, at 02:28 PM by 172.25.203.204 -
November 13, 2017, at 02:28 PM by 172.25.203.204 -
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November 10, 2017, at 03:01 PM by 172.25.99.148 -
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November 10, 2017, at 02:59 PM by 172.25.99.148 -
April 24, 2017, at 04:20 AM by 128.143.71.96 -
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* Attach:Job-Script-README
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April 23, 2017, at 04:37 AM by 128.143.71.96 -
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* Attach:monitor-jobs
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April 23, 2017, at 04:35 AM by 172.26.6.71 -
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April 23, 2017, at 04:00 AM by 172.26.6.71 -
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If you have any questions or concerns please feel free to email: mtp5cx@vvirginia.edu
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If you have any questions or concerns please feel free to email: [[mailto:mtp5cx@vvirginia.edu | mtp5cx@vvirginia.edu]]
April 23, 2017, at 03:59 AM by 172.26.6.71 -
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If you have any questions or concerns please feel free to email: mtp5cx@vvirginia.edu
April 21, 2017, at 02:30 PM by 128.143.71.96 -
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April 21, 2017, at 02:22 PM by 128.143.71.96 -
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!!! Using a wrapper script
The grid / fastgrid commands can be used within a bash script to submit a job to the grid-queue through the command-line interface. So you can use a wrapper script (sample wrapper script attached below) to submit your job(s) from the cli. You can also use the script to do some pre-processing like: ''copying input to the grid'', to monitor the job status and then do some post-processing on it like: ''copying the output file back to the local machine''. You can eliminate the copying back and forth from the grid by exporting some directories on your local machine to the grid, however that would require you to have a Genesis II server running on your local machine.
April 21, 2017, at 11:24 AM by 128.143.71.96 -
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!!! Sample Script to Run the Job
* Attach:job-wrapperscript
April 20, 2017, at 03:54 PM by 128.143.71.96 -
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April 20, 2017, at 03:52 PM by 128.143.71.96 -
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!!! Sample JSDL Files
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* Attach:lammps-template-rivanna
April 17, 2017, at 02:37 AM by 172.26.7.192 -
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Please refer to the [[CCC | CCC Main]] page for additional tutorial and information.
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!! The Page is under Construction !!!!
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Among the available resources through CCC, LAMMPS is installed on the [[https://kb.iu.edu/d/bcqt | Big Red II]] research supercomputers at Indiana University and on the [[http://arcs.virginia.edu/rivanna | Rivanna]] cluster at University of Virginia.
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Among the available resources through CCC, LAMMPS is installed on the [[https://kb.iu.edu/d/bcqt | Big Red II]] research supercomputers at Indiana University and on the [[http://arcs.virginia.edu/rivanna | Rivanna]] cluster at University of Virginia.

!! Using LAMMPS with CCC


!!! From the GUI
1) Browse to /resources/CCC/queues/. Right click on the appropriate queue you want to submit the job and select create job. The Grid Job Tool will pop-up
2) In the Grid Job Tool, select file/open project and open up pre-stored project (.gjp) file or create your own project file by specifying the job name, input, output and other parameters. Some sample project file are attached at the bottom of this page.
3) Once you have created or modified the project file, select submit job from the file menu option and the job will be submitted to the Queue.
4) you can monitor the progress of the job using Queue manager option on the Queue.


!!! Sample Project Files
* Attach:lammps-template-bigred
April 17, 2017, at 01:33 AM by 172.26.7.192 -
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Among the available resources through CCC, LAMMPS is installed on the [[https://kb.iu.edu/d/bcqt | Big Red II]] research supercomputers at Indiana University and on the [[http://arcs.virginia.edu/rivanna | Rivanna]] cluster at University of Virginia.
April 16, 2017, at 02:25 PM by 172.26.7.192 -
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Developed at [[http://www.sandia.gov/ | Sandia National Laboratories]], LAMMPS is open source code distributed freely under the terms of the GNU General Public License ([[http://www.gnu.org/copyleft/gpl.html | GPL]]). For more, see the [[http://lammps.sandia.gov/ | LAMMPS home page]] and the [[http://lammps.sandia.gov/doc/Manual.html| LAMMPS Documentation]].
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Developed at [[http://www.sandia.gov/ | Sandia National Laboratories]], LAMMPS is open source code distributed freely under the terms of the GNU General Public License ([[http://www.gnu.org/copyleft/gpl.html | GPL]]). For more information on LAMMPS, please checkout [[http://lammps.sandia.gov/ | LAMMPS home page]] and [[http://lammps.sandia.gov/doc/Manual.html| LAMMPS Documentation]].
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!! The Page is under Construction
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!! The Page is under Construction !!!!
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!! Overview
LAMMPS (“Large-scale Atomic/Molecular Massively Parallel Simulator”) is a molecular dynamics program from Sandia National Laboratories. LAMMPS can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale which can run on single processors or in parallel using message-passing techniques (MPI). Many of its models have versions that provide accelerated performance on CPUs, GPUs, and Intel Xeon Phis. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.

Developed at [[http://www.sandia.gov/ | Sandia National Laboratories]], LAMMPS is open source code distributed freely under the terms of the GNU General Public License ([[http://www.gnu.org/copyleft/gpl.html | GPL]]). For more, see the [[http://lammps.sandia.gov/ | LAMMPS home page]] and the [[http://lammps.sandia.gov/doc/Manual.html| LAMMPS Documentation]].
April 14, 2017, at 11:51 PM by 172.26.135.20 -
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!! The Page is under Construction