task failed except energy

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Eric

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Oct 6, 2020, 6:09:23 PM10/6/20
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Hello~

I can only run energy task. When I try geometry, freq, dynamic, they all failed and the error is like:
xxx is not in this build of NWChem: Received an Error in Communication.
xxx can be driver, stpr_wrt_fd_from_sq or md_input, etc.

Is there anything wrong with my compile?

Edoardo Aprà

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Oct 6, 2020, 6:21:29 PM10/6/20
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export NWCHEM_MODULES=all
make nwchem_config
make

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