Māui upgrade is complete

The recent upgrade of the Māui is now complete. The operating system, libraries, and software stack have been upgraded and rebuilt, improving performance and stability and enabling new capabilities.

If you encounter any issues, have any questions about the upgrade, need help with getting your software working on the upgraded system, or have a suggestion for our documentation, please contact us via email at support@nesi.org.nz. We are committed to providing you with the best computing resources possible and will do our best to assist you.

Why

This upgrade brings Māui's operating environment up to the latest supported release available for Cray's XC50 supercomputing platforms, with performance, reliability, and security benefits. This includes more up-to-date tooling and libraries with associated features and performance benefits. This work also enables further upgrades to NeSI's shared HPC storage system.

Impact

Please be aware that this is a major upgrade to Māui’s operating environment which may impact the compatibility of software compiled with the current toolchains and libraries, as such users should expect to need to test existing applications post-upgrade and in some cases (especially where the application is leveraging software modules on Māui) rebuilding will be required. Users of applications maintained as software modules in the NeSI software stack can expect NeSI to provide rebuilt and/or updated versions of these applications (though this will be an ongoing effort post-upgrade).

The following information will help your transition from the pre-upgrade Māui environment to the post-upgrade one: 

  • The three main toolchains (CrayCCE, CrayGNU and CrayIntel) have all been updated to release 23.02 (CrayCCE and CrayGNU) and 23.02-19 (CrayIntel). The previously installed versions are no longer available.
  • Consequently, nearly all of the previously provided environment modules have been replaced by new versions. You can use the module avail command to see what versions of those software packages are now available. If your batch scripts load exact module versions, they will need updating.
  • The few jobs in the Slurm queue at the start of the upgrade process have been placed in a “user hold” state. You have the choice of cancelling them with scancel <jobid> or releasing them with scontrol release <jobid>.
  • Be aware that if you have jobs submitted that rely on any software built before the upgrade, there is a good chance that this software will not run. We recommend rebuilding any binaries you maintain before running jobs that utilise those binaries.
  • Note that Maui login does not require adding a second factor to the password when authenticating on the Maui login node after the first successful login attempt. That is, if you have successfully logged in using <first factor><second factor> format, no second factor part will be required later on.

We have also updated our support documentation for Māui to reflect the changes, so please review it before starting any new projects. 

Software Changes

Software built on Māui may not work without recompilation after the upgrade. See the tables below for more detail regarding version changes. If you have any particular concerns about the impact on your work, please contact NeSI Support.

The table below outlines the known and expected Cray component changes:

CLE Components

Version pre-upgrade

19.04

Version post-upgrade

23.02

Cray Developer Toolkit

19.04

23.02

Cray Compiling Environment

CCE 8.7.10

CCE 15.0.1

Cray Message Passing Toolkit

MPT 7.7.6

PMI 5.0.14

GA 5.3.0.10

Cray OpenSHMEMX 8.0.1

MPT 7.7.20

PMI 5.0.17

Cray OpenSHMEMX 9.1.2

Cray Debugging Support Tools

ATP 2.13

CCDB 3.0.4

CTI 2.15.5

Gdb4hpc 3.0.10

STAT 3.0.1.3

Valgrind4hpc 1.0.0

ATP 3.14.13

CCDB 4.12.13

CTI 2.17.2

Gdb4hpc 4.14.3

STAT 4.11.13

Valgrind4hpc 2.12.11

Cray Performance Measurement & Analysis Tools –CPMAT (1)

Perftools 7.0.6

PAPI 5.6.0.6

Perftools 23.02.0

PAPI 7.0.0.1

Cray Scientific and Math Libraries -CSML

LibSci 19.02.1

LibSci_ACC 18.12.1 (CLE 6)

PETSc 3.9.3.0

Trilinos 12.12.1.1

TPSL 18.06.1

FFTW 2.1.5.9

FFTW 3.3.8.2

Petsc 3.14.5.0

TPSL 20.03.2

Trilinos 12.18.1.1

Cray Environment Setup and Compiling support -CENV

craype-installer1.24.5

craypkg-gen1.3.7

craype 2.5.18

cray-modules 3.2.11.1

cray-mpich-compat1.0.0-8 (patch)

cdt-prgenv 6.0.5

craypkg-gen 1.3.26

craype 2.7.15

Third party products

HDF5 1.10.2.0

NetCDF 4.6.1.3

parallel-NetCDF 1.8.1.4

iobuf 2.0.8

java jdk 1.8.0_51 (CLE 6)

GCC 7.3.0

GCC 8.3.0

cray-python 2.7.15.3 & 3.6.5.3 (CLE 6)

cray-R 3.4.2

HDF5 1.12.2.3

NetCDF 4.9.0.3

Parallel-NetCDF 1.12.3.3

iobuf 2.0.10

GCC 10.3.0

GCC 12.1.0

cray-python 3.9.13.2

cray-R 4.2.1.1

Third Party Licensed Products

PGI 18.10 (CLE 6 only)

TotalView 2018.3.8

Forge 19.0.3.1

Forge 21.0.3

Totalview 2021.2.14

S-2529: XC Series Cray Programming Environment User's Guide

S-2559: XC Series Software Installation and Configuration Guide (CLE 7.0.UP04 Rev E)

Reference:

HPE Cray Programming Environment 21.09 for Cray XC (x86) Systems

Cray XC (x86) Programming Environments 19.04

Applications supported by NeSI team

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