Re: [AMBER-Developers] Ocra tests fail in amusing way

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 22 Mar 2013 10:03:35 -0400

On Fri, Mar 22, 2013, steinbrt.rci.rutgers.edu wrote:
>
> I just compiled and ran a fresh checkout and found a novel problem (only
> one, yay!). The tests using the external Orca program in
> qmmm_EXTERN/pure_QM_MD_Orca fail on my machine. I do not have the QM
> program orca installed, but another tool called orca (A screen reader,
> part of some fedora defaults installs).

I thought we were going to have check_Orca.x look for one of the other
orca-related executables (not "orca" itself, but something like "orca_scf",
which would be there for the qchem orca but not for others.

...dac


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Received on Fri Mar 22 2013 - 07:30:02 PDT
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