S/PHI/nX Accelerate

Gemmantics is highly involved in the development of the open source SxAccelerate Framework which is the basis of the S/PHI/nX [1] program package.

S/PHI/nX [1] is a free object-oriented DFT program package. The S/PHI/nX framework is focussing on rapid development of efficient quantum mechanical algorithms on large HPC clusters. It is based on the SxAccelerate framework which is

  • a set of general purpose C++ class libraries focussing on memory management, string handling, cross-platform file i/o, interprocess communications, numerics, multithreading, and MPI parallelization,
  • a cross-platform framework supporting Linux, MacOS X, FreeBSD, and Windows,
  • simplifying rapid development in C++ due to its intuitive API,
  • highly optimized to work efficiently on single computers or large clusters,
  • distributed as open-source under a BSD-style license, and
  • community driven and community tested.

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Download Source Code

S/PHI/nX and the SxAccelerate framework are distributed under a BSD-style license and can be downloaded for free from the Max-Planck-Institute for Iron Research:

Download Binary Distribution

The following binaries are distributed under the S/PHI/nX Academic License. Redistribution and reverse-engineering of the binary packages are strictly prohibited. For any commercial usage an extra license has to be obtained from MPIE.

OS Package Content Instructions Build Notes
CentOS 6.3
sxaccelerate-1.0.1-1.x86_64.rpm SxAccelerate,
MKL RT, NetCDF
07/04/2012 07/10/2012
sphinx-2.0.3-2.x86_64.rpm S/PHI/nX, SxAccelerate,
MKL RT, NetCDF
07/04/2012 07/10/2012
Debian 6.0.5
sxaccelerate_1.0.1-1_amd64.deb SxAccelerate,
MKL RT, NetCDF
06/25/2012 06/24/2012
sphinx_2.0.3-2_amd64.deb S/PHI/nX, SxAccelerate,
MKL RT, NetCDF
06/25/2012 06/24/2012
Fedora 15
sxaccelerate-1.0.1-1.x86_64.rpm SxAccelerate,
MKL RT, NetCDF
07/04/2012 07/03/2012
sphinx-2.0.3-2.x86_64.rpm S/PHI/nX, SxAccelerate,
MKL RT, NetCDF
07/04/2012 07/03/2012
Ubuntu 12.04
sxaccelerate_1.0.1-1_amd64.deb SxAccelerate,
MKL RT, NetCDF
06/24/2012
sphinx_2.0.3-2_amd64.deb S/PHI/nX, SxAccelerate,
MKL RT, NetCDF
06/24/2012
Windows 7 (64bit)

setup.exe S/PHI/nX, SxAccelerate,
MKL RT, NetCDF
07/04/2012 07/03/2012

The files will be installed to the following folders:

SxAccelerate
/opt/sxaccelerate/<VERSION>
S/PHI/nX
/opt/sxaccelerate/<VERSION>
/opt/sphinx/<VERSION>

Installation instructions and build notes are provided in the above table besides each package.

If you have questions or comments concerning the binaries please do not hesitate to contact us.

Contributing Partners

The S/PHI/nX libraries are a joined project of the following partners:


[1]
The object-oriented DFT program library S/PHI/nX,
S. Boeck, C. Freysoldt, A. Dick, L. Ismer, J. Neugebauer,
Comp. Phys. Comp. (182), 543

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