Is the following combination of env. variables required on MAC OS 10.10.3 When compiled with Python?
Forum Vet
7:43:12 AM PDT - Sat, May 2nd 2015
Dear all
 

   When compiled with python, is the following combination of env. variables required on MAC OS 10.10.3

export USE_PYTHON64=Y
export PYTHONLIBTYPE=so
export PYTHONCOMFIGDIR=config-x86_64-macx-gnu ?

Forum Vet
8:06:01 PM PDT - Sat, May 2nd 2015
While the simultaneous compilation of NWchem6.5 and Python 3.4 seems to work on MAC 10.10.3, the following mistake appears after a rttddft calculation although there are required extracting, FFT, and ploting commands in the input .


input_parse: unknown directive nw_rtparse.py                                                                                                                                                                                                                                                                     0

------------------------------------------------------------------------

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 current input line : 

  140: nw_rtparse.py -xdipole -px -tkick_x h2o_abs.nwo > x.dat

------------------------------------------------------------------------

------------------------------------------------------------------------

There is an error in the input file

Forum Vet
12:53:52 AM PDT - Sun, May 10th 2015
Although " export NWCHEM_MODULES=all python" , etc are added, the following error appears when Python
commands are carried out

0:python_input is not in this build of NWChem:Received an Error in Communication
application called MPI_Abort(comm=0x84000004, -1) - process 0 .

The Python version is 3.4, and its directory is /usr/bin/PYTHON.

What is the problem here?


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