AMBER Archive (2001)

Subject: Amber 6 on parallel SUN

From: Christian Pilger (cpilger_at_oc30.uni-paderborn.de)
Date: Thu Apr 19 2001 - 04:47:02 CDT

Dear Amber-Users,

I recently gained access to a 4-processor SUN (SunOS 5.6 Generic sparc
SUNW,Ultra-4). Are GIBBS and SANDER the only modules that have been
parallelized (I read something like this in the manual) ? Would other
modules, like SANDER_CLASSIC or NMODE, profit from running on such a
4-processor machine ?
Up to now, I've been using Amber on single-processor machine only, thus
I'd appreciate some advice for compilation on parallel machines (e.g.
which machine file to use etc.). Has somebody successfully compiled Amber
modules on a similar system ?

Best regards,

Christian

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 Dr. Christian Pilger Uni-GH Paderborn
                                      FB 13 - Organische Chemie
                                      Warburger Str. 100
                                
                                      D-33098 Paderborn/Germany
 Tel.: 05251-60279/-602183
 Fax : 05251-603245 email: cpilger_at_oc30.uni-paderborn.de

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