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User Mailing

ICHEC Mail #49

Posted: 2013-05-20

Dear ICHEC users,

1. PRACE DECI-11 (Tier-1) Call announcement
2. Gromacs and LAMMPS Scaling on Stokes and Stoney
3. PRACE Winter School 2013 on Scientific Visualisation
4. Upcoming Training Events
5. PRACE Summer of HPC

1 PRACE DECI-11 (Tier-1) Call announcement

The DECI-11 call for PRACE Tier-1 resources is now open:

This Call invites proposals for project access to Tier-1 resources, via DECI,
the Distributed European Computing Initiative, providing single project
cross-national access to national (Tier-1) HPC-resources.

DECI enables European researchers to obtain access to the most powerful national
(Tier-1) computing resources in Europe regardless of their country of origin or
employment and to enhance the impact of European science and technology at the
highest level. Proposals must deal with complex, demanding, innovative simulations
that would not be possible without Tier-1 access.
Please note that, in addition to offering access to computing resources,
applications-enabling and porting, assistance from experts at the leading European
HPC centres is offered (on request and depending on availability) to enable
projects to be run on the most appropriate Tier-1 platforms in PRACE.

Tier-1 machines available:
IBM Blue Gene/Q, Cray XE/XC, and a range of large clusters including GPU resources
made available from Cyprus, Finland, Germany, Hungary, Ireland, Italy, Norway,
Poland, Serbia, Spain, Switzerland, The Czech Republic, The Netherlands, Turkey
and United Kingdom.

Important dates
Opening date: 8th May 2013, 12:00 CEST
Closing date: 10th June 2013, 12:00 CEST
Allocation start date: 1st Nov, 2013
Allocation period: 1 year for Project Access

All detailed information about the call and the available Tier-1 systems
can be found at:

For any queries related to applications or eligibility please contact:

We would invite PIs interested in these calls to notify our user support
activity leader, Dr. Martin Peters (martin.peters@ichec.ie) in good time.

2 GROMACS and LAMMPS Scaling on Stokes and Stoney
GPGPU enabled versions of GROMACS and LAMMPS have recently been installed.

Benchmarking graphs can be found on the following pages:


3 PRACE Winter School 2013 on Scientific Visualisation
ICHEC organised the PRACE Winter School 2013 on Scientific Visualisation on
19-22 March in Dublin. 43 participants were engaged in learning about various
tools and techniques that are frequently employed in generating both 2-D and 3-D
scientific visualisation. The school's programme covered plotting packages in R,
the Python matplotlib library, Paraview and VisIt. While the majority of
participants were from Ireland, attendees also came from France, Germany, Italy
and Romania. Presenters at the school consisted of a mix of ICHEC staff,
Dr. Adam Ralph and Dr. Bruno Voisin, and invited speakers from Europe,
Dr. Nicolas Rougier (INRIA, France) and Mr. Jean Favre (CSCS, Switzerland).
Feedback has been overwhelmingly positive; participants have given an average
overall rating of 8.5 out of 10 for the event.

The Winter School in Dublin is one of a series of seasonal schools that occurs
in different locations throughout Europe funded by the FP7 PRACE projects. The
training material used in the school is now available online from the PRACE
Training Portal (http://s.ichec.ie/PRACEWinterSchool13). The portal also holds
information about an extensive range of PRACE training courses and events that
are free for Irish researchers to attend.

4 Upcoming Training Events
ICHEC has organised a suite of courses on HPC and parallel programming on 4-7 June
at NUI Maynooth, in collaboration with Dr. Jonivar Skullerud from the Department
of Mathematical Physics. The suite of three courses on offer are introductory
courses covering basic usage of ICHEC systems and fundamental parallel programming
paradigms (OpenMP and MPI). Limited places are available and registration is open
for researchers based in Irish academic institutions. To find out more information
and to register for the courses, please visit:


In addition, we are making preliminary plans for a similar 3-day introductory
courses on HPC, OpenMP and MPI at DCU some time in June/July. Please e-mail
training@ichec.ie if you wish to be kept informed of the details or if you wish
to enquire about hosting ICHEC courses at your institution.

5 PRACE Summer of HPC
The PRACE Summer of HPC (SoHPC) is a student placement programme for Summer 2013
designed and managed by ICHEC within the PRACE-3IP FP7 project. 24 students of
accredited universities have been selected and will spend two months at one of 10
HPC centres in PRACE partner countries. Students will undertake a visualisation
project based on outcomes from PRACE technical work or other work using PRACE
resources such as Tier-0/Tier-1 computers.

The PRACE Summer of HPC is a fantastic opportunity for the students who have
been awarded places. It offers them a chance to learn and share more about PRACE
and HPC. The programme covers travel and accommodation to the HPC centre and to
a kick-off training week at EPCC in Edinburgh; a stipend is also provided for
the duration of the programme, which runs from July 1st to August 30th 2013.

Of the 189 applications less than half of those made it past the first round of
the selection process, but Ireland was well represented in this group making
up almost 9%. Only two other European countries were better represented at
this stage and both of those have populations at least double ours!

One Irish Student was selected, Mr. CaoimhĂ­n Laoide-Kemp, who will travel to
Serbia to work with Prof. Antun Balaz on the electronic structure of C60:

ICHEC will host three Students:
Alba Pedro-Zapater from Spain, who will work with Dr. Paul Nolan on
Visualising Large OpenFOAM Models using Paraview

Maria Aston Serrano Gracia also from Spain, who will work with Dr Michael Lysaght on
Profiling the hybrid Molecular Dynamics code, DL_POLY, on heterogeneous clusters:

Antonios Karkatsoulis from Greece, who will work with Mr. Alastair McKinstry
on Scalable visualization of Climate data using OPeNDAP-enabled Paraview

Over the summer you can keep up-to-date with all the latest developments
through the Summer of HPC blog:


And social media sites:
Facebook - http://www.facebook.com/SummerOfHPC
Twitter - https://twitter.com/SummerOfHPC
LinkedIn - http://www.linkedin.com/groups/Summer-HPC-4725549


Previous User Mailings can be found at http://www.ichec.ie/newsletters

If you would like to stay up to date with all activities at ICHEC please
follow our twitter account:


Dr. Martin Peters
User support Activity Leader

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