ADF

Software Summary

Mesabi

Default Module: 
Other Modules Available: 

2016.103, 2017.108_ompi, 2017.113, 2017.113_cuda, 2018.014_ompi, 2018.106_intel_r74086, 2019.102_intel, 2018.106_intel, 2017.108, 2017.108_cuda, 2019.102_intel.local

Last Updated On: 

Thursday, July 2, 2020

Mesabi K40

Default Module: 
Other Modules Available: 

2016.103, 2017.108_ompi, 2017.113, 2017.113_cuda, 2018.014_ompi, 2018.106_intel_r74086, 2019.102_intel, 2018.106_intel, 2017.108, 2017.108_cuda, 2019.102_intel.local

Last Updated On: 

Thursday, July 2, 2020

Mangi

Default Module: 
Other Modules Available: 

2016.103, 2017.108_ompi, 2017.113, 2017.113_cuda, 2018.014_ompi, 2018.106_intel_r74086, 2019.102_intel, 2018.106_intel, 2017.108, 2017.108_cuda, 2019.102_intel.local

Last Updated On: 

Thursday, July 2, 2020

Mangi v100

Default Module: 
Other Modules Available: 

2016.103, 2017.108_ompi, 2017.113, 2017.113_cuda, 2018.014_ompi, 2018.106_intel_r74086, 2019.102_intel, 2018.106_intel, 2017.108, 2017.108_cuda, 2019.102_intel.local

Last Updated On: 

Thursday, July 2, 2020

NICE

Default Module: 

2018.106_intel

Other Versions Available: 

2016.103, 2017.108_ompi, 2017.113, 2017.113_cuda, 2018.014_ompi, 2018.106_intel_r74086, 2019.102_intel, 2018.106_intel, 2017.108, 2017.108_cuda, 2019.102_intel.local

Last Updated On: 

Thursday, July 2, 2020

Last Updated On: 

Thursday, July 2, 2020

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Molecular Modeling and Simulation
Software Description

The molecular ADF program can be applied to gas phase molecules, solvated molecules, and molecules in protein environments. It can treat all elements of the periodic table, and contains state-of-the-art relativistic methods (ZORA and spin-orbit coupling) to treat heavy nuclei.

Software Documentation

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