How to do BCCD(T) computation in NWChem?


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Hi Mernst,

yeah, it was the first example. As your suggestion I looked on your installation script and I modified my script little bit.

After compilation I tried both the first and second example but both of them are showing same error. Then according your suggestion I typed "which nwchem" and I got the following:

which: no nwchem in (/cm/shared/apps/openmpi/intel/64/1.6.5/bin:/cm/shared/apps/intel/13.1/composer_xe_2013_sp1.0.080/mkl/bin/intel64:/cm/shared/apps/intel/13.1/composer_xe_2013_sp1.0.080/mkl/bin:/cm/shared/apps/slurm/2.5.7/sbin:/cm/shared/apps/slurm/2.5.7/bin:/home/gh404/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib64/jvm/jre/bin:/usr/lib/mit/bin:/usr/lib/mit/sbin:/sbin:/usr/sbin:/opt/dell/srvadmin/bin:.:/cm/shared/apps/intel/13.1/bin)

Now, please suggest me how to solve the problem.

Thank you.

Anup