mstore 0.3.0-GCC-12.3.0

Molecular structure store for testing

Accessing mstore 0.3.0-GCC-12.3.0

To load the module for mstore 0.3.0-GCC-12.3.0 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a module load mstore/0.3.0-GCC-12.3.0

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

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

More Information

For more information visit the mstore website.

Dependencies

This version of mstore has a direct dependency on: GCC/12.3.0 mctc-lib/0.3.1-GCC-12.3.0

Required By

This version of mstore is a direct dependent of: dftd4/3.7.0-foss-2023a multicharge/0.3.0-gfbf-2023a tblite/0.3.0-foss-2023a

Other Versions

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

Version	BEAR Apps Version
0.2.0-intel-compilers-2022.1.0	2022a
0.2.0-GCC-12.2.0	2022b

Last modified on 13th November 2024