AMBER Archive (2006)

Subject: Re: AMBER: Problems compiling amber9

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 21 2006 - 10:03:37 CDT

On Fri, Apr 21, 2006, Thomas Steinbrecher wrote:

> make: [test.sander.BASIC] Fehler 1 (ignoriert)
> forrtl: severe (19): invalid reference to variable in NAMELIST input, unit
> 5, file /usr/local/amber9/test/qmmm2/neb_gb/mdin

Can you give a little more detail from the output? There are four tests
in $AMBERHOME/test/qmmm2/neb_gb, and each of them creates an mdin file. So
it would be really helpful to see which of the test cases is giving this
error. However, I don't think there are really
any invalid namelist variables there. Take a look at the mdin file that is
failing to see if there is anything odd (dos line endings?).

I note that Run.neb_link_atoms_qmgb2 creates an mdin file with blank lines in
it; I suppose its possible that could be a problem...if this is the test
that is failing, and if you can't see anything else, try removing the blank
lines.

You could also try not setting the "-athlon" flag to configure; it could be
that that flag is not doing the right thing with your inputs. But the fact
that gcc is failing in weird ways suggests some deeper problem.

...dac
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