TGQR 2010Q4 Report.pdf - Teragridforum.org

User news was posted to inform the general users about this webpage. User feedback received,
from materials science users, for this project also showed strong support for this project.
The third project involves evaluation and benchmarking of the hybrid (MPI-OpenMP/pthreads)
programming model. Due to the emergence of multi-core processors, hybrid programming, using
MPI tasks and multiple OpenMP threads or pthreads per tasks, is of interest to users. This model
may provide better performance than straight MPI programming. In addition hybrid programming
may allow some simulations that are otherwise not possible due to limited memory available per
core and hence provide a science capability not achievable by straight MPI codes on multi-core
architectures. In order to investigate these issues, AUS staff from PSC, NICS, TACC and SDSC
compared performance and usage of codes written in hybrid mode versus straight MPI mode. The
codes being targeted are an astrophysics code, a hybrid benchmarking code, phylogenetics codes,
FFTW, and a Monte Carlo code and work is ongoing. Raghu Reddy (PSC) wrote a draft
whitepaper based on his hybrid programming work. Other AUS staff, participating in this project,
also worked on developing whitepapers based on their hybrid code work. These whitepapers will
be made available for TeraGrid users via the AUS project webpage.
As mentioned earlier the fourth project involves investigating PGAS languages. No significant
update is available this quarter for this project.
The fifth project involved developing TAU tutorial and this is done by AUS staff from PSC. This
tutorial and documentation are available from AUS projects webpage. The TAU tutorial gives
users information about TAU installation on Ranger and Kraken and other TeraGrid resources,
and is a practical guide for TAU. It will allow users to learn about the commonly used features of
the TAU software tool and will enable users to successfully start using TAU on TeraGrid
resources.
5.5.2.3
For the third category of ASP, AUS staff at NICS are implementing and testing “ld” and “aprun"
as a part of the libraries database project on Kraken. This database will provide user support staff
knowledge about library usage such as which ones are used the most and how frequently. The
information obtained will be used to improve the software management, procurement and
maintenance requirements. Also, this information may prove useful in the planning and
development stages of new resources as they are brought to production. This project was
completed in this quarter and has now moved into production phase. The database is growing
based on regularly collected software usage data. The data is being used to identify software that
is used least often, and to identify software used most often. These information are used to tailor
support for software at NICS.
5.5.2.4
Creation of a software and associated database to monitor libraries being used by
users
Under the fourth category of ASP, the project being done involves both ASTA and ASP and it
has been described in §5.5.1 (PI Roberts (RTI International, Computer Science) EpiSims; PI:
Karniadakis (Brown U., CFD) NekTar-G2; PI Coveney (University College of London,
Chemistry) GENIUS). In this quarter this project has also transitioned into operational phase and
will continue as an ASTA project.
5.5.3
Implementation and testing of software allowing cross-site MPIg based simulations to
run and associated interaction with cloud computing
Advanced Support for EOT (ASEOT)
AUS staff from all the RP sites contribute to preparing and delivering advanced HPC and CI
technical contents for trainings and workshops that are offered throughout the year at all the RP
sites. This is done in coordination with the EOT area. List of workshops, which were offered are
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