Re: [AMBER-Developers] Tests Errors in AmberTools

From: David A Case <>
Date: Wed, 8 Jun 2016 19:33:47 +0200

On Wed, Jun 08, 2016, Claudia Ramírez wrote:
> I did a git pull on Monday (June 6), with gnu 4.8 compilers and doing just
> ./configure gnu (serial for now) in Ubuntu 14.04 LTS. And it has 4 tests on
> AmberTools that aren't working (this is without my modifications), and I
> don't know why. I'm attaching the log file to see if anyone could help me
> make it work.

All the problems are python-related problems, related either to pytraj or
to the sander api interface.

What is the PYTHON variable in your config.h? If you are not already
using a miniconda python, try going to $AMBERHOME/AmberTools/src and running
configure_python. Then go back to AMBERHOME and re-run configure.

[I still am pushing the (so-far, minority) viewpoint that all users should
be offered the choice to install the miniconda python. Users that have both
experience with python, and the desire/need to use a different interpreter,
are welcome to decline the offer. But configure2 is still prone to deciding
that the python in a user's path is OK when it is in fact not OK. So, letting
us know which python your Amber installation is using would be a help here.]


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Received on Wed Jun 08 2016 - 11:00:02 PDT
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