On Mon, May 09, 2011, Kamali Sripathi wrote:
>
> It's interesting that you mention running the tests by hand. That's what I'd
> been doing when I'd gotten the error about not having netCDF support.
Can you say exactly how you ran them by hand?
> However, when I ran /usr/local/amber11/AmberTools/test/test_in_serial.sh,
> it seemed that a lot of the tests that had failed when I ran them by hand,
> ended up passing.
One guess is the AMBERHOME may have been set differently when running the
script than by hand(?). Your log shows that NAB was not properly compiled
(problems with fftw), but other things look ok. Posting the entire config.h
file may help.
>
> In /usr/local/amber11/test/, there is only ndiff.awk.
This is normal.
> Is there any documentation regarding what each file in the test directory
> actually does?
No...volunteers solicited here!
>
> In my compiled version of AmberTools, in
> /usr/local/amber11/AmberTools/test/sleap, I have a lot of subdirectories
> like addions, amoeba and prmtop, while the general
> /usr/local/amber11/AmberTools/test/leap
> directory doesn't have that. Is that normal?
yes.
>
> Is there a difference between using the modules in /usr/local/amber11/exe/
> vs. those in /usr/local/amber11/AmberTools/exe/?
No: those two directories are symlinks to the same location. However, the
"exe" directories are obsolete -- what version of AmberTools are you using?
....dac
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Received on Mon May 09 2011 - 11:30:06 PDT
