AMBER Archive (2007)

Subject: RE: AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Oct 02 2007 - 21:00:07 CDT

Hi Mickael,

Can I request that you please post replies to this thread to the amber
mailing list amber_at_scripps.edu (see http://amber.scripps.edu for signup
details) that way there will be a record of the thread in the archive
(http://amber.ch.ic.ac.uk/archive/) to benefit other users.

> I am a research scientist with Weatherford in Houston, Texas.
> I encountered
> an error while running on one of our SGI clusters that is
> very similar to
> your posting dated May 10, 2006.

I can't find this message in the archive so am not sure what I said could
you please send me the link.

> I compiled a program, which
> worked fine
> while I am logged in but crashes when executed remotely (e.g.
> via PBS). The
> error is "undefined symbol: __powr8i4"

This to me sounds like the library versions are different in some way.
Either you are running interactively on one machine which doesn't exactly
match the machine that the code runs on when you use PBS. Alternatively the
environment may be different when using PBS so that PATH and LD_LIBRARY_PATH
is different and thus referencing different library versions.

You could also try using static linking (add -static to the load line in
config.h) I.e.
LOAD= ifort -static $(LOCALFLAGS) $(AMBERBUILDFLAGS)

Although on an Altix you may not be able to successfully link statically due
to licensing issues with the math libraries but it is worth a try.

If none of this works then please send more details such as OS version,
environment both when using PBS etc.

All the best
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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