SPRNG

Posted on October 13, 2004 by Dan Gezelter

The Scalable Parallel Random Number Generators Library (SPRNG)
Find SPRNG at: http://sprng.cs.fsu.edu/

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LAMPI

Posted on October 13, 2004 by Dan Gezelter

LA-MPI is an implementation of the Message Passing Interface (MPI) motivated by a growing need for fault tolerance at the software level in large high-performance computing (HPC) systems.LA-MPI has two primary goals: network fault tolerance and high performance. Network fault tolerance is acheived by implementing a highly efficient checksum/retransmission protocol. The integrity of delivered data is (optionally) verified at the user-level using a checksum or CRC. Data that is corrupt (or never delivered) is retransmitted. As for high performance, LA-MPI’s lightweight checksum/retransmission protocol allows us to achieve low latency messaging. Furthermore, the flexible approach taken to the use of redundant data paths in a network-device-rich system leads to high network bandwidth since different messages and/or message-fragments can be sent in parallel along different paths. Also, since LA-MPI is developed for use on the the large systems at Los Alamos National Laboratory we have verified that LA-MPI is scalable to over 3,500 processes.
Find LAMPI at: http://public.lanl.gov/lampi/

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Compilers???

Posted on October 5, 2004 by Dan Gezelter

So, we’ve started a new discussion on Compilers over in the OpenScience Forums. Come join in and let us know what you use to convert all this great open source scientific code into usable binaries.

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Gabedit

Posted on October 5, 2004 by Dan Gezelter

A new user-suggested link today: Gabedit is a graphical interface to Gaussian, Molcas and Molpro computational chemistry packages running locally or on a remote server. It includes a 3D molecule editor and viewer. Most major molecular file formats are supported and graphics can be exported in many formats.

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Gabedit

Posted on October 5, 2004 by Dan Gezelter

Gabedit is a graphical interface to Gaussian, Molcas and Molpro computational chemistry packages running locally or on a remote server. It includes a 3D molecule editor and viewer. Most major molecular file formats are supported and graphics can be exported in many formats.
Find Gabedit at: http://gabedit.sourceforge.net/

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Quantities and GXSM

Posted on September 22, 2004 by Dan Gezelter

Today we’ve added a link to GXSM which is a powerful interface for various kinds of scanning probe microscopy. This link is somewhat lonely in our Surface Science section, so if you know of any other useful Surface Science codes, add them here.

We’ve also added a user-contributed link to Quantities, which is a cool package which lets you attach units to various quantities in C++. This library resides in our Numerical Libraries section.

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GXSM

Posted on September 22, 2004 by Dan Gezelter

The Gnome X Scanning Microscopy project is a powerful graphical interface for any kind of 2D and 3D (multilayered 2D mode) data acquisition methods, especially designed for SPM and SPA-LEED, which are used in surface science. It includes methods for 2D data (of various types: byte, short, long, double) visualization and manipulation. It can be used for STM, AFM, SNOM, SARLS, SPA-LEED and CCD (very special), but is by far not limited to those! Especially in standalone mode it can perform many SPM typical image manipulations and analysis tasks.
Find GXSM at: http://gxsm.sourceforge.net/

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Quantities

Posted on September 22, 2004 by Dan Gezelter

Quantities is a software package which allows the use of quantities which have dimensionality and have units attached within C++ programs in a way similar to the use of the built-in types float or double. It is thus an implementation of quantity calculus in C++.
Find Quantities at: http://www.echem.uni-tuebingen.de/~bs/AKhomepage/Quantities/quantities.html

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BioInformatics and GIS applications

Posted on September 21, 2004 by Dan Gezelter

Two more links today (both user-contributed). DeltaStat performs statistical calculations on data from 2-D gel experiments and can be located in our BioInformatics section.

The other link is for SAGA, the System for an Automated Geo-scientific Analysis, which can be found in our Geography section with all of the other great GIS applications.

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DeltaStat

Posted on September 21, 2004 by Dan Gezelter

DeltaStat performs statistical calculations on data from 2D gel experiments. DeltaStat combines the power of R, a language for statistics, with the efficiency of a relational database to handle the large amount of data generated in proteomics experiments.
Find DeltaStat at: http://deltastat.org

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