[CPMD-list] CPMD manual updates for the next release

[Axel Kohlmeyer]

hi everybody,

i'm currently in the process of updating and restructuring
the cpmd manual for the upcoming release, and for that i
could use (again) a little help from the CPMD community.

there are still a significant number of features that are not
at all or tersely documented and items/keywords where the
documentation is vague, not overly helpful, (sometimes) 
misleading or confusion, or (rarely by now) incorrect.

if you have any improvements, corrections, suggestions, or
simply input file examples, please send them to me ASAP.

secondly, the compilation and installation part is very terse and
not addressing many issues that are problematic for people with
little experience in compiling in general and in particularly
parallel programs. here it would be nice if people who have struggled
with compiling cpmd report their problems, so they can be addressed
(apart from occasional compiler bugs, i have not had problems compiling
cpmd for a long time, so i wouldn't really know...).
it would also be nice and useful for many people to include some
information on how to tune cpmd compilations to give the maximum
performance and some benchmark data to show typical scaling on
different configurations and typical hardware scenarios.

third, the postprocessing/analysis part is outdated and could
use some work. what do you people do to analyse your data?
what software do you use (if handwritten, consider providing
through the contrib section of www.cpmd.org's download page).

and finally, would be nice if a couple of you would volunteer
to proofread the outcome of your and my efforts.

thanks,
    axel.

p.s.: please send plain text or latex files only. they don't
have to be complete or perfect. even a few random notes and
text fragments can help.


-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
    Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.