[4115] in Software_Announce
Q-chem installed on Athena
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Thu Jan 15 19:18:22 2015
From: Alex T Prengel <alexp@mit.edu>
To: software-announce@mit.edu
Cc: cfyi@mit.edu, alexp@mit.edu
Date: Thu, 15 Jan 2015 19:18:14 -0500
I've installed Q-chem on Athena. Q-chem is a quantum molecular chemistry
application. There are two parallel implementations, one based on
OpenMPI (in the qchem lockers) and the other based on MPICH (in the
qchemmpich lockers). Detailed instructions and links to documentation
are at http://ist.mit.edu/node/1408#qchem and
http://ist.mit.edu/node/1408#qchemmpich repectively.
Alex
