ADF

ADF (Amsterdam Density Functional) is a program dedicated to electronic structure calculations using Density functional theory (DFT).

Submitting ADF jobs on HPCC Apollo

For using 4 processors on a single compute node, please see the following script. For using only 1 processor, use this example. To submit the job, modify the script as needed and type:

bsub < script

To specify on which node to run the job, use (with apollo41 as an example):

bsub -m apollo41 < script