Re: Running AIX version of NAMD on IBM cluster

From: Gengbin Zheng (gzheng_at_ks.uiuc.edu)
Date: Wed Feb 18 2004 - 21:37:55 CST

Hi,

  I believe the AIX machine we used to compile the binary is not
compatible with the one you are using. You may have to compile NAMD
from source code to get it working.

Gengbin

On Tue, 17 Feb 2004, Hansang Bae wrote:

> Did somebody solve this problem?
> I have the same problem.
>
> Thanks,
> Hansang Bae
>
> On Wed, 4 Feb 2004 aida_at_mit.edu wrote:
>
> > 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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