| 8:39:02 PM PDT - Wed, Jun 25th 2014 |
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I am a new comer of NWCHEM.
Nwchem6.3 has been installed in MAC in the directory: /Users/computation/nwchem.
When I followed the instructions in the Nwchem6.1.1 manual and typed: export NWCHEM_TOP /Users/computation/nwchem, I was told " not a valid identifier". so NWCHEM_TOP failed to be defined
in my environment to be the path of the top level nwchem directory.
What is the problem here?
Thanks for your advice.
Thanks. This works!
In fact, I used the following lines from the manual to compile,
export USE_MPI
export NWCHEM_MODULES all
export OLD_GA yes
export NWCHEM_TARGET MACX
export NWCHEM_TOP=/Users/computation/nwchem
Howerver, when I went into the directory/src and typed " make nwchem_config", the terminal showed that
you must set NWCHEM_MODULES to the list of modules to be included in NWCHEM builds, and when I typed
further "make", it showed you must define NWCHEM_TARGET in your environment to be the name of the machine you wish to build for...
According to the manual, I have finished the two things.
What is the problem here?
Thanks for your advice.
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