BEAR Applications: Amber 18-fosscuda-2018b-AmberTools-18-patchlevel-10-8 (for BlueBEAR, BEARCloud VMs, and CaStLeS VMs)

Amber 18-fosscuda-2018b-AmberTools-18-patchlevel-10-8

Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.

Accessing Amber 18-fosscuda-2018b-AmberTools-18-patchlevel-10-8

To load the module for Amber 18-fosscuda-2018b-AmberTools-18-patchlevel-10-8 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load Amber/18-fosscuda-2018b-AmberTools-18-patchlevel-10-8

There is a CPU version of this module: Amber 18-foss-2018b-AmberTools-18-patchlevel-10-8

BEAR Apps Version

2020a

More Information

For more information visit the Amber website.

Dependencies

This version of Amber has a direct dependency on: Boost.Python/1.67.0-fosscuda-2018b-Python-2.7.15 bzip2/1.0.6-GCCcore-7.3.0 fosscuda/2018b matplotlib/2.2.3-fosscuda-2018b-Python-2.7.15 netCDF/4.6.1-fosscuda-2018b netCDF-Fortran/4.4.4-fosscuda-2018b Python/2.7.15-fosscuda-2018b X11/20180604-GCCcore-7.3.0 zlib/1.2.11-GCCcore-7.3.0

Other Versions

These versions of Amber are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Version	BEAR Apps Version
22.0-foss-2021b-AmberTools-22.3	2021b
22.0-foss-2021b-AmberTools-22.3-CUDA-11.4.1	2021b
20.13-AmberTools-21.12-fosscuda-2020a-Python-3.8.2	2020a
20.13-AmberTools-21.12-foss-2020a-Python-3.8.2	2020a
20.9-AmberTools-20.14-fosscuda-2020a-Python-3.8.2	2020a
20.9-AmberTools-20.14-foss-2020a-Python-3.8.2	2020a
18.15-AmberTools-19.8-fosscuda-2019a-Python-2.7.15	2019a
18.15-AmberTools-19.8-foss-2019a-Python-2.7.15	2019a
18-foss-2018b-AmberTools-18-patchlevel-10-8	2018b

Last modified on 3rd June 2019