You must login before you can run this tool.
LAMMPS
Run LAMMPS by uploading a data file and command script.
Version 1.14 - published on 07 Dec 2018
doi:10.21981/77EB-T178 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 1.14: Added LAMMPS version 22Aug18
Version 1.13: Fixed a bug in the handling of submitted HPC jobs with OpenKIM Models; added better error messages for OpenKIM model retrieval errors
Version 1.12: Fixed a bug in the extraction of thermodynamic curves from LAMMPS output
Version 1.11: Extended support for OpenKIM models and added the ability to run version 17Feb12 on BOINC volunteer hosts
Version 1.10: Added support for jump/label handling in LAMMPS input
Version 1.9: Updated SSL handling for OpenKIM connections
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: