AMBER Archive (2009)

Subject: AMBER: reg sander crashing on more than 32 cores over IB

From: Amit Bajaj (
Date: Mon Jan 05 2009 - 00:33:15 CST

dear all

we have 16 nodes cluster running IB using mellanox
each node is 2x Quad Core Intel processors
we compiled Sander using intel compilers and Mvapich that comes with mellanox software
although MPI program other than Sander.MPI is running successfully on 128 cores, sander.MPI only getting executed on 32 cores.

when we try to submit sander on more than 32 cores, it crashes with unknown error




Best rgds


D M Systems Pvt. Ltd.

B-127, Shivalik, ND – 17

Ph – 26691429/2344



“One never reaches anywhere sitting on the shore”

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