building namd on a Cray XE6 with Interlagos procs

From: Giovanni Settanni (
Date: Tue May 20 2014 - 09:03:22 CDT

we have been trying to build both NAMD 2.9 and the CVS version of NAMD
from April on a Cray XE6 machine with Interlagos Opteron processors and
gemini network. We tried to adapt the instructions given in the Wiki
page for the Cray Xe6, which however seem to be not up to date.

The building process is successful but the performance we measure with
the ApoA1 benchmark is very poor (about half that obtained on the Cray
XE6 Beagle shown on the NAMD performance page and also about half of
that of a local interlagos cluster with infiniband ).

Can anybody help to improve the building process or provide updated
building instructions?

Giovanni Settanni

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