[AMBER] A9 tutorial analyse.sh problem

From: Robert Wohlhueter <bobwohlhueter.earthlink.net>
Date: Fri, 19 May 2017 20:37:18 -0400

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

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Received on Fri May 19 2017 - 18:00:02 PDT
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