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Subject:	NWChem 5.0 is now available on Bassi
Author:	Zhengji Zhao <zzhao_at_lbl.gov>
Date:	2007-03-19 13:56:08
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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