This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.
LAMMPS
Run LAMMPS by uploading a data file and command script.
Launch Tool
Archive Version 1.8
Published on 04 Nov 2015
Latest version: 1.14. All versions
doi:10.4231/D30Z70X9W cite this
This tool is closed source.
Category
Published on
Abstract
This tool allows users who are experienced with LAMMPS to upload a command script and data file for any system and run LAMMPS either as a serial calculation or a parallel run on a HPC system. Users can upload command scripts with pair_style kim, and the tool will automatically download and load Models from the OpenKIM repository.
Version 1.8: Fixed bug in extraction of thermodynamic curves from LAMMPS output
Version 1.7: Fixed internal bug that could cause problems with OpenKIM connections
Version 1.6: Added support for LAMMPS 06Apr15 and fixed bug that occurs when no data file is uploaded
Version 1.5: Added 2 examples (Cu OpenKIM system and polyethylene chain) and structure/trajectory animation
Version 1.4: Added support for OpenKIM Models with Model driver dependencies and network access to openkim.org for all users
Version 1.3: Added experimental support for OpenKIM Models (pair_style kim); note this feature may not work for all OpenKIM models.
Version 1.2: Increased maximum core-hours to 12288 and maximum cores to 512. Increased size of input text boxes.
Version 1.1: Added entry boxes to allow users to specify the name of the LAMMPS output log file and LAMMPS input data file. This supports command scripts with variables in log and data file names.
Version 1.0: Initial release
Cite this work
Researchers should cite this work as follows: