EaStCHEM RCF Homepage | Support Pages | Software Information
CPMD
CPMD is designed for perfoming plane-wave DFT molecular dynamics calculations on peroidic systems. More information can be found at the CPMD website.
Documentation
The CPMD manual is available online.
Running
A CPMD job is submitted to the cluster queuing system using the cpmdsub command. For example:
> cpmdsub -np 8 -q parallel-medium.q test
This would submit a CPMD job to the parallel-medium.q queue using 8 processors and the input in the file test. CPMD can run in serial or distributed memory form.
For more information on cpmdsub see the EaStCHEM Submission System User Guide.