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ADF/BAND (Application)

Introduction

ADF http://www.scm.com/ (The Amsterdam Density Functional package) is a software for first-principles electronic structure calculations. It is particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and biochemistry.

BAND, also called ADF-BAND, is the name of a software package closely related to ADF. BAND can be used to study periodic systems: solids, surfaces, slabs, polymers, and reactions on surfaces. BAND is a separate software product: you can use it without using ADF.

License Information

Effective January 1, 2009, there is no cost for users to run ADF/BAND on SHARCNET clusters. The SHARCNET policy regarding commercial software can be found here. The software may only be used by permitted groups. A sponsor (PI) can submit an online ticket or email help@sharcnet.ca to request joining the Adf/Band group.

Availability Table

Version Default Module Systems
2013.01 (group: adf) True orca, redfin, tembo, vdi-centos6, viz10-uwo, viz11-uwo, wobbie
2014.05 (group: adf) True goblin, orca, redfin, tembo, vdi-centos6, viz10-uwo, viz11-uwo, wobbie
2016.106 True graham
2016.106 (group: adf) True orca, redfin, tembo, vdi-centos6, viz10-uwo, viz11-uwo, wobbie
2017.207 True graham

Documentation

https://www.sharcnet.ca/help/index.php/ADF/BAND

Mailing List

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Change Log

o Dec 5, 2016: Installed adf/2014.05 on brown, orca, redfin, saw, tembo, wobbie, viz10-uwo, viz11-uwo, vdi-centos6.
o Apr 25, 2015: Installed adf/2014.05 on saw, orca, hound and goblin.
o Feb 15, 2015: Installed adf/2014.05 on redfin.
o Dec 23, 2014: Installed adf/2013.01 and adf/2014.05 on tembo.
o Dec 4, 2014: Installed adf/2014.05 on vdi-centos6, viz10-uwo, viz11-uwo and brown.
o Nov 7, 2014: Removed adf/2013.01 from viz3,5,6,8-uwo.sharcnet.ca and removed adf/2012.01c from viz3-uwo. Added adf/2013.01 to vdi-centos6.user.sharcnet.ca, viz10-uwo.sharcnet.ca and viz11-uwo.sharcnet.ca for interactive testing use purposes.
o Jan 29, 2014: Removed 2012.01 and 2012.01c from brown, hound, orca, saw and all vizs.
o May 21, 2013: Updated to 2013.01 on orca, saw, hound, redfin, brown, requin, some vizs.
o Apr 17, 2013: New version 2013.01 installed on requin.
o Apr 15, 2013: New version 2013.01 has been installed.
o Feb 25, 2013: Version 2012.01c also added to angel, goblin, monk, redfin and hound.
o Jan 30, 2013: Removed 2010.02 and 2012.01 from viz. Installed 2012.01c on viz[6-9]-uwo.
o Nov 16, 2012: ADF 2012.01c has been installed and updated on orca, saw and requin
o Oct 9, 2012: Removed 2012.01 on orca and replaced with 2012.01c to fix adf_torque_ssh.
o Jan 6, 2012: Installed 2012.01 on clusters and wlu, uoit, brock, uwo and guelph viz stations.
o Nov 17, 2011: Installed 2010.02 on viz6-uwo, viz7-uwo, viz8-uwo, viz9-uwo, viz10-uwo, viz11-uwo, viz6-uoguelph, viz4-uoguelph and viz1-uwindsor.
o Aug 08, 2011: Updated brown, hound, orca and saw to use patched torque_ssh for mpi jobs.
o Mar 14, 2011: Patched the adf module on narwhal so “module load adf/2010.02-test” can be used instead of the scripts shown above. This applies to both bash shell and csh shell users.o
o Jan 24, 2011: Removed 2009.01b and 2010.01 from hound, narwhal, requin, saw, bull and brown then installed 2010.02 on these same machines.