Navigation
University of Rome
Tor Vergata
NMP-DEEPEN PROJECT REPOSITORY
The major objective of DEEPEN (atom-to-Device Explicit simulation Environment for Photonics and Electronics Nanostructures) is to develop an integrated multiscale simulation capability for predictive design of novel materials and nanostructures, targeted at two of the most important present device challenges, namely future CMOS and future energy-efficient light sources.
The project’s OS environment is released under the GNU Lesser General Public License (GNU LGPL), ensuring that the core of the multiscale environment together with all its Application Programming Interfaces (APIs) can be distributed and even modified freely.
The OSI Environment is based on HDF framework and on UNICORE (Uniform Interface to Computing Resources).
HDF library and UNICORE system are prerequisites. For the installation and configuration of these frameworks, the user should refer to the manuals available on the respective web sites.
Scripts for band structure visualization in Mathematica or Gnuplot, and for effective mass extraction are available on the project web site.
Below you can find source code and documentation of the OS Environment developed for the project.
Source codes consist in:
- CDF APIs: to perform I/O operations on a HDF file without the direct use of HDF native API.
- TRANSLATORS: to perform "translation" of the DEEPEN tools specific data format into a CDF dataset and viceversa.
- APP TOOLS: widgets that run inside Unicore Rich Client. They're the Graphcal User Interfaces of the DEEPEN tools and translators.
- DEEPEN DATABASE: HDF based database containing the material data calculated during the project. It can be accessed through the free tool HDFView or through the CDF APIs.
Documentation consists in Javadoc manual for the APIs and in two Developer Guides on API use cases and on UNICORE GridBeans Development.
DOWNLOAD SECTION
CDF API - Input/Output API for Common Data Format file
Here you can find the source code and the full documentation of the developed APIs for the I/O handling of the Common Data Format (CDF) which has been implemented during the Project based on the standard HDF.
The goal of DEEPEN APIs is to hide the complexity of HDF world and to enable any developer to write an HDF compliant code in an easy and fast way. Thus, the implementation of a new simulation tool, as well as its CDF translator API, in the DEEPEN OSI will be quite straightforward.
The technical documentation of the APIs has been written in the standard Javadoc format.
In addition to the code documentation, we have prepared also a User Guide aimed to support future users in developing a Gridbean for Unicore with CDF API support.
TRANSLATORS - Java translators from and to CDF file
Here are the source codes of the scripts which perform the translation from the proprietary format to the CDF, for all the tools used in Deepen: QE, TimEs, OpenMX, Wannier90, OMEN.
These codes are to be executed on the Unicore server side during the execution of the Workflows. They have to be used together with the Translators Apps on the client side.
APP TOOLS - GridBeans and Translators App for Unicore Rich Client
Here you can find the Gridbean Apps and the Translator Apps developed for the tools used in Deepen: QE, TimEs, OpenMX, Wannier90, OMEN.
They can be used in Unicore Rich Client to create the Workflows.
The compiled jar files have to be copied in the "applications" directory of the Client.
PARAMETERS DATABASE - HDF parameters database based on calculations reported in D2.5
The Deepen database is implemented in HDF format and can be consulted with the free application HDFView or using the above APIs.
Both the parameter database and open-source interface are freely available for your use.
A video demo workflow showing the linking between the DFT code Quantum Espresso and the quantum transport code OMEN is available to view on Youtube.
Sample workflow enabled by DEEPEN Open Source Interface
For any question, please contact the maintainer at info@tibercad.org