Running AIX version of NAMD on IBM cluster

From: aida_at_mit.edu
Date: Wed Feb 04 2004 - 14:54:21 CST

Hi all,

I want to run simulations on an IBM cluster and have the NAMD Version 2.5 for
AIX-RS6000 installed on my home directory. When I try submitting a parallel job
(using Load Leveler), I get the following error message. Am I supposed to
independently obtain this missing module from somewhere? Or am I running it
wrongly?

Thanks in advance for your help.

Aida

****************************************

error message:

exec (): 0509-036 Cannot load program /home/wi1/aida/NAMD_2.5_AIX-RS6000/namd2
because of the following errors:

         0509-150 Dependent module /u/ac/jphillip/fftw/lib/libhC.a(shr.o) could
not be loaded

         0509-022 Cannot load module /u/ac/jphillip/fftw/lib/libhC.a(shr.o)

*****************

Command file sent to Load Leveler:

|--------------------------------------------------------------------------|
| |
| # @ job_type = parallel |
| # @ executable = /usr/bin/poe |
| # @ arguments = ~/NAMD_2.5_AIX-RS6000/namd2 ~/Simulation/file.conf > |
  | ~/Simulation/file.log |
| # @ output = out/ll_parallel.$(host).$(jobid).$(stepid).out |
| # @ error = out/ll_parallel.$(host).$(jobid).$(stepid).err |
| # @ notification = error |
| # @ wall_clock_limit = 10:00:00 |
| # @ class = grid |
| # @ total_tasks = 8 |
| # @ blocking = unlimited |
| # @ resources = ConsumableCpus(1) ConsumableMemory(1000mb) |
| # @ queue |
| |
| |
|--------------------------------------------------------------------------|

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