NWChem 5.0 is now available on Bassi

From: Zhengji Zhao (zzhao_at_lbl.gov)
Date: 03/19/2007

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Dear Bassi users,

A new version (5.0) of NWchem  is available on Bassi now.  To use it, type:

module load nwchem/5.0

You need to link the .nwchemrc file in your home directory to
the $NWCHEM_DIR/default.nwchemrc when you first start to use this 
version, type:

ln -sf $NWCHEM_DIR/default.nwchemrc ~/.nwchemrc  or

cp ${NWCHEM_DIR}/default.nwchemrc ~/.nwchemrc

If no problems are reported, this version will become the default version
in one month (on April 19).  The current default version (4.7) will
remain available via "module load nwchem/4.7".

-- 
Best regards,

Zhengji zhao
User Services Group        email: ZZhao@lbl.gov
NERSC Division             phone: (510) 495-2540
Lawrence Berkeley Lab        fax: (510) 486-4316

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