The Ruby cluster is composed of both standard Intel Xeon CPUs as well as new Xeon Phi coprocessors. Special considerations must be taken both when compiling for and running software on the Phi coprocessors. This guide provides general information on the Phi coprocessors and breaks down the different types of programming models available for them. For detailed information on compiling software for our Phis, please refer to our Phi Compiling Guide.
This document was created to guide users through the compiling and execution of programs for Ruby's Phi coprocessors. It is not intended to help determine which of the Phi usage models to use. No special actions are needed for programs running exclusively on the host For more general information on Ruby and its Phi coprocessors see our Ruby FAQ page. Only Fortran, C, and C++ code can be compiled to run on the Phi coprocessors. Code to be run on Ruby or the Xeon Phi coprocessors should be compiled on Ruby.
Molpro is a complete system of ab initio programs for molecular electronic structure calculations. The emphasis is on highly accurate computations, with computationally efficient and extensive treatments of electron correlation. The Molpro program offers multiconfiguration SCF, multireference CI, coupled-cluster routines, local electron correlation methods, and a wide range of supporting features. Additional information can be found at the Molpro website.
June 5th, 2014
10:00 a.m.: Coffee and Tea (BALE Conference)
10:15 a.m.: Committee Meetings
Hardware and Operations (BALE Conference)
Allocations (BALE Theatre (TBD))
This document shows you how to set soft limits using
ulimit command sets or reports user process resource limits. The default limits are defined and applied when a new user is added to the system. Limits are categorized as either soft or hard. With the
ulimit command, you can change your soft limits for the current shell environment, up to the maximum set by the hard limits. You must have root user authority to change resource hard limits.
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).