SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. More information can be found from here.
The April 2014 HPC Tech Talk (Tuesday, April 22th from 4-5PM) will provide some brief OSC updates, have a user-driven Q&A session, and will close with an invited talk about MPI-3 from the MVAPICH developers from The Ohio State University. To get the WebEX information and add a calendar entry, go here. Slides are available below.
In the past, only processor use in batch jobs was considered when calculating RUs. The change in our charging policy will reflect the fact that memory is also a scarce resource that should be accounted for in RU charges. The proposed change affects only Oakley jobs that request more than 4GB memory per processor (core).
Portland Group Compilers
The Portland Group, Inc. (a.k.a. PGI, http://www.pgroup.com/) is a premier supplier of software compilers and tools for parallel computing, known as PGI® products. The Portland Group offers optimizing parallel FORTRAN 2003, C99 and C++ compilers and tools for workstations, servers and clusters running Linux, MacOS or Windows operating systems. These products are available for OSC users across Ohio.
Intel Compilers, Tools, and Libraries
Intel Corporation (http://www.intel.com), well-known for hardware technology since introducing the world's first microprocessor in 1971, also produces an array of software development products which are available for OSC users across Ohio.
TotalView Technologies Totalview Debugger
TotalView Technologies is a leading provider of software development tools for developers of complex parallel and distributed applications in the High Performance Computing community.
HyperWorks is a high-performance, comprehensive toolbox of CAE software for engineering design and simulation. The products contained within HyperWorks are summarized below:
OSC has received funding from the Ohio Board of Regents to acquire statewide licenses for software tools that will facilitate research. We are pleased to announce the availability of the products below. There are a limited number of licenses for each product. The licensing program initially will be available to current OSC users and then will be expanded to a wider audience. Please remember that this is an experiment for Ohio and the vendors. As such, we will need to hear any concerns or problems you encounter.
As a general recommendation, we suggest selecting the newest compilers available for a new project. For repeatability, you may not want to change compilers in the middle of an experiment.
We recommend the Intel compilers on Oakley.