I am pleased to announce BatchMan (Batch Manager),
a free program for Windows environment.
It runs on Windows 9x and NT (mono or multiprocessors).
BatchMan consists of a graphic interface with two quantum
calculation programs (MOPAC V6 and GAMESS) and a file format
conversion utility (Babel) which allows one to import input
files or to export results.
The major features are:
- run calculations as serial jobs like in a batch mode.
- distribute the calculation tasks across a network (by a
shared directory), jobs can be carried out on various
connected computers and the results are automatically
centralized. This greatly reduces the computing time required.
- easily display and edit the input files and allow the
modification of keywords on a whole series of files.
This option is of particular utility when handling a large
number of files provided by a conformational analysis.
- monitor the status of calculation.
- allow an interface with a third party additional program.
BatchMan appears very practical as well for the execution
of a simple quantum calculations as for the processing of
a great number of files on several PC across a network.
The BatchMan Web Site:
http://www.univ-orleans.fr/SCIENCES/ICOA/batchman/index.html
Eric VANGREVELINGHE
I.C.O.A. Institut de Chimie Organique et Analytique
CNRS UPRES-A-6005 BP 6759 45067 ORLEANS Cedex 2 FRANCE
tel: (+33) [0] 238 49 45 77 fax: (+33) [0] 238 41 72 81
eric.vangrevelinghe@univ-orleans.fr