From: Grabe, Michael David (mdgrabe_at_pitt.edu)
Date: Thu Jun 04 2009 - 09:21:21 CDT
We just downloaded the latest NAMD2.7b1 and charmrun precompiled binaries.
We are running on a cluster of Intel Macs each with 4 cores. NAMD2.6 with
charmrun works fine on the cluster. However, we find that we cannot get the
precompiled binaries in the 2.71 release to spawn to machines on the
cluster. Here are some observations:
1. When we place more than one networked computer in the nodelist, only the
local machine runs NAMD. The other machines are never contacted.
2. The output says that it is running NAMD in the standalone mode.
3. When we use the top command, we see one processes on the local machine
running at %400; however, when we would run NAMD2.6 we see 4 separate
processes running at %100 each. (remember there are 4 cores on these
4. When we use ++verbose the run crashes.
5. When we try to run charmrun from the command prompt without any
additional input, we do not see any command options. The version bundled
with NAMD2.6 gives a list of options.
We feel that something may be wrong with the charmrun build packaged
together with NAMD2.7b1.
Any help would be greatly appreciated.
-- Michael Grabe Assistant Professor University of Pittsburgh Department of Biological Sciences 242 Crawford Hall Pittsburgh, PA 15260 mdgrabe at pitt dot edu http://mgrabe1.bio.pitt.edu/~mgrabe/ 412.383.5334 (office)
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