PIMD 2.4.0-foss-2019b-aenet

PIMD is an open-source software for parallel molecular simulations originally developed by Dr. Motoyuki Shiga (Principal Researcher at Japan Atomic Energy Agency).

Accessing PIMD 2.4.0-foss-2019b-aenet

To load the module for PIMD 2.4.0-foss-2019b-aenet please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load PIMD/2.4.0-foss-2019b-aenet

BEAR Apps Version

2019b

Architectures

EL8-cascadelake — EL8-haswell — Ubuntu20.04-haswell

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
  • BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

ænet

This version of PIMD is built against the Atomic Energy Network (ænet) package.

More Information

For more information visit the PIMD website.

Dependencies

This version of PIMD has a direct dependency on: foss/2019b

Last modified on 8th October 2020