Updated 2022-09-13

Hive Cluster Software Guide

Overview

  • Make a request to add a new software here. Make sure to mention that you are requesting this software for the Hive Cluster. As of August 2022, all new software for Hive will be installed in the Slurm environment.
  • You can view the most up-to-date list of software on the Hive Cluster by running module spider when logged into the cluster.

PACE Software Stack after Slurm Migration

Visit our software list for all software available on PACE's Slurm clusters, including Hive.

PACE Meta Modules

Compilers and MPI implementations will be upgraded periodically. However, it is understood that users may need to freeze on software versions for research.

New users are introduced to software via Lmod modules. One way to understand how this works is to examine the pace-slurm module.

module show pace-slurm # we designate a version of YYYY.MM 

# part of output:
load("gcc/10.3.0","mvapich2/2.3.6")

Keeping up with compilers and MPIs is a part of PACE research, and enables users to determine optimizations and bug fixes with newer releases.

module spider

  • The module spider command can help you find a software and see important information about the software and its dependencies.
Using module spider to all available modules
  • Running module spider will list all softwares and what versions of them are available on the Cluster.
Using module spider to find specific software
  • You can use module spider [software name] to find a particular software, view information about it, and see its dependencies.
[gburdell3@login-hive1 ~]$ module spider lammps


-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  lammps: lammps/20220107-mva2-5mwxtx
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------

    You will need to load all module(s) on any one of the lines below before the "lammps/20220107-mva2-5mwxtx" module is available to load.

      intel/20.0.4  mvapich2/2.3.6-2j2jbf

    Help:
      LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel
      Simulator. This package uses patch releases, not stable release. See
      https://github.com/spack/spack/pull/5342 for a detailed discussion.


This material is based upon work supported by the National Science Foundation under grant number 1828187. Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.