Re: Running AIX version of NAMD on IBM cluster

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Mon Feb 23 2004 - 10:50:50 CST

Hi,

An illegal instruction usually means that the FFTW library was compiled
for a newer processor than the one you are trying to run on.

-Jim

On Thu, 19 Feb 2004, Brian Bennion wrote:

> hello,
>
> I was able to overcome the problems posed below by compiling (namd,
> fftw,tcl, charm++ )and adding the isomalloc workaround described
> on the namdOnAIX wiki page.
>
> However, my job dies in the fft optimization with the following error:
> Info: VELOCITY REASSIGNMENT FREQ 100
> Info: VELOCITY REASSIGNMENT TEMP 0
> Info: VELOCITY REASSIGNMENT INCR 2
> Info: VELOCITY REASSIGNMENT HOLD 298
> Info: PARTICLE MESH EWALD (PME) ACTIVE
> Info: PME TOLERANCE 1e-06
> Info: PME EWALD COEFFICIENT 0.312341
> Info: PME INTERPOLATION ORDER 4
> Info: PME GRID DIMENSIONS 80 80 60
> Info: Attempting to read FFTW data from FFTW_NAMD_2.5_IBM-SP.txt
> Info: Optimizing 6 FFT steps. 1...
>
> frost067{bennion1}663: less test.e
> ERROR: 0031-250 task 0: Illegal instruction
>
> It doesn't matter how many nodes have been allocated.
> The core file isn't very informative as the debug symbols are not
> included.
> Has this been seen before?
>
> Brian
>
>
>
> On Wed, 18 Feb 2004, Gengbin Zheng wrote:
>
> >
> > 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 |
> > > > | |
> > > > | |
> > > > |--------------------------------------------------------------------------|
> > > >
> > >
> >
> >
>
> *****************************************************************
> **Brian Bennion, Ph.D. **
> **Computational and Systems Biology Division **
> **Biology and Biotechnology Research Program **
> **Lawrence Livermore National Laboratory **
> **P.O. Box 808, L-448 bennion1_at_llnl.gov **
> **7000 East Avenue phone: (925) 422-5722 **
> **Livermore, CA 94550 fax: (925) 424-6605 **
> *****************************************************************
>

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