Re: [AMBER] A9 tutorial analyse.sh problem

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Fri, 19 May 2017 21:05:47 -0400

and if you want to use your python 3.5 installation, just specify
`--with-python`

./configure --with-python /path/to/your/bin/python gnu
make install

Hai

On Fri, May 19, 2017 at 8:58 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> 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
>>
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber

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Received on Fri May 19 2017 - 18:30:02 PDT
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