sounds like your system python is bad. Can you try to replace "python"
by "amber.python" (to use $AMBERHOME/miniconda python)?
Hai
On Fri, May 19, 2017 at 8:37 PM, Robert Wohlhueter
<bobwohlhueter.earthlink.net> wrote:
> Dear Amber Community,
>
> I have run the A9 tutorial (with amber16 on an 8-core, ubuntu 16.04
> machine), apparently successfully. The "analyse.sh" scrip (using python
> 2.7) fails with error report "ImportError:
> /usr/local/lib/python2.7/dist-packages/numpy/linalg/_umath_linalg.so:
> undefined symbol: ATL_zttrsm".
>
> Using `find`, I also see an instance of this shared-lib in
> $AMBERHONE/miniconda/pkgs/numpy-1.12.0-py27_nomkl_0/lib/python2.7/site-packages/numpy/linalg/_umath_linalg.so.
> (As well as an instance from my python3.5 installation.)
>
> Tinkering with PYTHONPATH or LD_LIBRARY_PATH might steer the choice of
> path to one or the other instances of _umath_linalg.so. But, in fact,
> this seems irrelevant, since NONE of these instance defines the symbol
> "ATL_zttrsm" (as probed by `nm -Ca <lib-path-name> | grep ATL_zttrsm`)
>
> Any hints appreciated,
>
> Bob Wohlhueter
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 19 2017 - 18:00:03 PDT
