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Fortran Specialist Group
11.00 a.m. Thursday 30th September, 2010
BCS London Office,
First Floor, The Davidson Building, 5 Southampton Street, London WC2E 7HA
(nearest Underground stations: Charing Cross, Covent Garden, Embankment and Leicester Square)
|10.30||Tea, coffee and biscuits|
|14.00||The CASTEP project: reflections
on the first ten years (486KB PDF file)
, Rutherford Appleton Laboratory
CASTEP is a materials modelling code based on quantum mechanical density functional theory, used for the simulation from first principles of systems varying from surface structure of catalysts, magnetic nanoparticles to NMR and optical spectroscopy of solids.
CASTEP was designed and engineered using Fortran 90 beginning in 1999. I will discuss the use and style of Fortran coding, with a perspective on how it has contributed to achieving the aims of the project; some reflections on the power and limitations of the language, and provide some comments and reflections on the language and compilers from a developer/physicist perspective.
to the Fortran
66, 77, 90, 95, 2003 and 2008 standards (10KB PDF file)
Ian Chivers, Rhymney Consulting & Jane Sleightholme, Fortranplus
|15.30||17KB 1/page or
11KB 4/page PDF files)
(available as |
John Reid, JKR Associates and Rutherford Appleton Laboratory
Fortran 2003 contains features for interoperability of Fortran with C, and they are widely implemented as extensions of Fortran 95 compilers. This provides for interoperability of procedures with non-optional arguments that are scalars, explicit-shape arrays, or assumed-size arrays, but not with arguments that are assumed-shape, allocatable, pointer, or optional.
To fill this gap, WG5 has been working on a Technical Report since 2004. The original aim was to complete in 2007, but work on Fortran 2008 took precedence. With Fortran 2008 complete, it has high priority and WG5 expects to finish by the end of 2011.
In this talk, I will explain how the new features are provided in the current draft, http://www.j3-fortran.org/doc/year/10/10-165r2.pdf and summarize what is left to do.
John will also give a brief report on other recent activities of WG5 as
Last modified: Wed 2 Nov 2011 09:30:36