AMBER Archive (2008)

Subject: AMBER: Amber 10 on the BlueGene

From: Mike Hanby (mhanby_at_uab.edu)
Date: Mon Jul 28 2008 - 11:15:58 CDT

Has anyone compiled Amber 10 (I guess pmemd to be precise) for the Blue
Gene, and if so wouldn't mind sharing the config file and instructions?

 

Also, I've read a thread or two about the difficulties of getting NetCDF
support built into the Blue Gene binary, has anyone had any success with
this? My Amber users are reluctant to use bintraj for their non Blue
Gene jobs if the BGL will have to use the old format.

 

Thanks for any help,

 

Mike

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