AMBER Archive (2008)

Subject: AMBER: Amber: shared memory vs cluster

From: Francesco Pietra (
Date: Wed Feb 27 2008 - 12:08:19 CST

I need more power from my private computing equipments, currently running Amber
9, Dock6.1 and NWChem5.1 on Debian Linux amd64 multi dual opteron shared

In the perspective of Amber 10, where should my (modest) investment be better
directed: shared memory or cluster? I mean, will Amber 10 deal efficiently with
a home-arranged cluster from dual-opteron units? All that in the perspective
that for both NWChem and Dock I also need much much RAM.

In particular, will efforts by Amber developers be spent to let easily compile
pmend on OpenMPI? I found OpenMPI easy to use in combination with Intel
compilers, while I had no good config file from where to start, this is the

Thanks for helping my planning

francesco pietra

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