ilian.todorov at stfc.ac.uk ilian.todorov at stfc.ac.uk
Wed Feb 17 13:01:53 PST 2016

Hi Dan,

Having WSSSPE4 in the fall is a good idea.

I like the best practices demo idea.  At least my project, DL_POLY, in my group is having a good stab at this (continuous integration and testing, cross OS building system, code coverage, etc.) and we can present.

Having other demos, non-HPC and non-Computational Chemistry, will be fun to have too.  Best practices exists but how they are improved and applied are interesting questions to be answered.  Whether these are followed and whether a research software engineer has the time, resources and infrastructure at their disposal to follow is a different matter.




Dr. Ilian T. Todorov, A45                  Tel: (+44) 0 1925 60 3681

Leader, Computational Chemistry Group      Mob: (+44) 0 7799 75 2297

                                           Fax: (+44) 0 1925 60 3634

SC Department, STFC - Daresbury Laboratory

Sci-Tech Daresbury, Keckwick Lane, Daresbury

Warrington WA4 4AD, Cheshire, United Kingdom


DL_POLY Molecular Simulation Package: http://www.ccp5.ac.uk/DL_POLY/


From: WSSSPE [wssspe-bounces at lists.researchcomputing.org.uk] on behalf of Sou-Cheng Terrya Choi [schoi32 at iit.edu]
Sent: 16 February 2016 17:26
To: wssspe at lists.researchcomputing.org.uk
Subject: Re: [WSSSPE] WSSSPE4

Hi Dan,

I think the existing features of the past WSSSPE workshops are fine. If some new components are to be considered for the WSSSPE4 program, then I would suggest the following:

(1) short, hands-on course/demo of sustainable practices such as software citation, benchmarking software quality, etc.;

(2) a poster session to engage undergraduate or graduate students;

(3) follow-up reports from various WSSSPE3 working groups.


Professor Sou-Cheng Choi
Department of Applied Mathematics
Illinois Institute of Technology.
Senior Statistician
NORC at the University of Chicago.
Homepage:  http://mypages.iit.edu/~schoi32/

On 2/16/16 10:19 AM, Daniel S. Katz wrote:

Please let me know your thoughts about a WSSSPE4 meeting, probably in the fall/autumn.

What would you want such a meeting to accomplish, thinking of what we’ve done previously and what new topics might have come up.

Where should such a meeting take place?

Should we do this along with any other event?


Daniel S. Katz
University of Chicago
(773) 834-7186 (voice)
(773) 834-6818 (fax)
<mailto:d.katz at ieee.org>d.katz at ieee.org<mailto:d.katz at ieee.org> or <mailto:dsk at ci.uchicago.edu> dsk at uchicago.edu<mailto:dsk at uchicago.edu>

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