[sdpd] ESPOIR first release for parallel computing

[Armel Le Bail <armel...@fluo.univ-lemans.fr>]

Hello,

For those having large problems of molecule location,
or using the "scratch" method for structure solution
from powder diffraction data, leading to very long time
calculations on a single computer.

Also for those having access to a cluster of computers with 
MPI ; in particular, under UNIX, and even more in particular 
Linux with MPIch installed 
(see http://www-unix.mcs.anl.gov/mpi/mpich/index.html ),
like is available on the Lotus cluster in Le Mans
(http://weblotus.univ-lemans.fr/w3lotus/index.html).

Here comes the first version of ESPOIR for parallel computing,
downloadable at :
http://www.cristal.org/ftp/pespoir.tar.gz
It was developed by Florent Calvayrac, physicist in Le Mans.

Other configurations haven't been tested yet, but 
everything should work, in particular on a ready-made
cluster from a vendor.

See the readme.txt file for instructions to install and run 
the code.

Best wishes,

Armel Le Bail

PS - Thanks to a grant from the Dupont Company through
Richard Harlow interest in the ESPOIR program !


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