[3163] in Software_Announce
CPMD on Athena updated to 3.13.2
daemon@ATHENA.MIT.EDU (Alex T Prengel)
Mon Oct 26 14:47:28 2009
To: software-announce@MIT.EDU
cc: alexp@MIT.EDU, cfyi@MIT.EDU, trout@MIT.EDU, marzari@MIT.EDU
Date: Mon, 26 Oct 2009 14:47:19 -0400
From: Alex T Prengel <alexp@MIT.EDU>
I've updated CPMD on Athena to 3.13.2 for debathena machines. CPMD is
a computational molecular chemistry application, specifically a
parallelized plane wave/pseudopotential implementation of Density
Functional Theory. See http://web.mit.edu/acs/www/simulation.html#CPMD for
usage instructions.
From my message to users:
CPMD on Athena has been updated to 3.13.2. This version only runs on
Linux debathena machines.
Release notes for this version are at http://www.cpmd.org/cpmd_new.html
The prior 3.11.1 release will still be available for a limited time
and can be run by using a -ver 3.11.1 switch with the
cpmd.x command:
add cpmd
cpmd.x -ver 3.11.1 file.in > file.out
A manual is at https://web.mit.edu/cpmd_v3.13.2/manual/manual.pdf
Alex
