New home page at http://qmcpack.org
QMCPACK: This C++ QMC code was developed at University of Illinois and is designed for high-performance computers. It implements advanced QMC algorithms and is parallelized with both MPI and OpenMP. Generic programming enabled by templates in C++ is extensively utilized to achieve high efficiency on HPC systems.
Submit bugs and other issues at http://groups.google.com/group/qmcpack
Contact the developers through the google group to establish collaborations or make contributions
To download the code: checkout
The development of QMCPACK is funded by the U.S. National Science Foundation and Department of Energy.
The software is released under UIUC/NCSA open-source license
We have recently ported a substantial portion of the functionality of QMCPACK to run on GPUs using the NVIDIA CUDA platform. Please see GPU.
You can get involved with the development by contacting any of the owners of this project. Substantial experience in C++ and parallel programming (MPI/OpenMP) and knowledge in the electronic structure and quantum Monte Carlo methods are required.
In many cases, QMC simulations start with the electronic structure calculations using DFT, HF and other many-body methods. A few tools have been developed but any tools that can make QMCPACK useful and usable are always welcome. The input/output uses XML and HDF5 and we will provide the schema to assist the developers of other electronic structure codes and tools.
Anyone can download QMCPACK and use it for their research. We ask the users to cite our work by including
until technical papers on QMCPACK are published.
Use issues for troubleshooting and the wiki to add tutorials, sample data etc.
The development of QMCPACK is funded by
We also acknowledge the NCCS for help and support in accessing their resources, as part of a DOE INCITE allocation grant supported by US Department of Energy and NCSA, TACC and NICS for providing resources as a part of NSF TeraGrid allocation grant.