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Status of Major Software Installations

Graphical or Browser Software

Please consult the onBunya User Guide to see which software is installed and how to run. RStudio, Jupyter Notebooks and Labs, Gaussview, Mathematica and many CVL apps are available through onBunya.

Licensed Software

Mathematica

[AVAILABLE]

SPSS Statistics

  • [AVAILABLE]

  • Access is restrcited to UQ users

See onBunya User Guide

STATA

  • Installation in progress

Ansys

[AVAILABLE]

  • Access is restricted to approved UQ EAIT users only.

  • The Ansys dependencies have been built and deployed as a single mega-module.

  • The issue with the system coupling component now appears to have been resolved following a system configuration patch.

To load the dependencies and set the environment for using Ansys:

module load ansys/2023.1 or module load ansys/2024.1

Additional Notes

  • You must use the 2024.1 version to utilise the H100 GPUs (only relevant for operations that can utilise a GPU).
  • Using Fluent across multiple servers requires that you override the default Intel-MPI behaviour of the software, and use the OpenMPI instead. The OpenMPI module is automatically loaded when you load the Ansys module, but you must ensure that the fluent command is invoked to use OpenMPI (instead of the default IntelMPI).

Please submit a support request via email to [email protected] if you experience any issues with Ansys.


Gurobi

[AVAILABLE]

  • The issue with accessing the Gurobi product license servers on campus has been resolved.
  • RCC is working with the vendor and ITS to faciliate access and use of the campus license server.
  • Version 9.5.0 has been installed.
  • Version 10.0.1 has been installed and configured.
  • Awaiting a patch to the license server to be applied.
  • The licensing patch has been applied.
  • Version 11.0.3 has been deployed and is the (current) default version.
[uq_user@bunya2 ~]$ module purge
[uq_user@bunya2 ~]$ module load gurobi/11.0.3

[uq_user@bunya2 ~]$ alias | grep gurobi
alias check_gurobi_lic='/sw/local/rocky8.6/noarch/rcc/software/Gurobi/gurobi950/linux64/bin/gurobi_cl --license'

[uq_user@bunya2 ~]$ check_gurobi_lic
Set parameter TokenServer to value "uq-gurobi.research.dc.uq.edu.au"
Set parameter LogFile to value "gurobi.log"
Using license file /sw/local/rocky8.6/noarch/rcc/software/Gurobi/gurobi.lic


MATLAB

UQ Users

[AVAILABLE BUT UPDATES BEING TESTED]

  • The version of MATLAB (2022a) that is available does not support some Simulink functionality.
  • The Update 6 of R2022a is installed.

Please test the updated version using

module load matlab/R2022a6

Non-UQ

[UNAVAILABLE]

  • The access to license servers at home institutions needs to be configured.
  • Once that is established, software installation can occur.

Star-CCM+

[AVAILABLE FOR TESTING]

  • Access to the UQ license server for this product has been established.
  • Several dependencies have been deployed.
  • Some command line options are essential. Please refer to module help starccm+/17.02.008

To test functionality please either of these

module load star-ccm+/15.06.008
module load star-ccm+/17.02.008

Please submit a support request via email to [email protected] if you experience any issues while testing Star-CCM+.


CUDA Related Modules

The GPU nodes will have different modules available and users are advised to log onto a GPU node via an interactive session to see which modules are avialable for the specific GPU architectures. For example, CUDA modules will not be availalbe on CPU nodes, but will be available on the CUDA GPU nodes.
The command that will load the default version of the cuda drivers etc. on a GPU node will be
module load cuda
An alternative to using an interactive session on a CUDA node, would be to interrogate the /sw filesystem for the versions of cuda that are available.
ls /sw/auto/rocky8*/*/modules/all/cuda/

Full Module List

CPU Nodes

You should run module -I -w 120 --show-hidden overview on Bunya to get the up-to-date list of installed software.

------------------------------------------ /sw/auto/rocky8c/epyc3/modules/all ------------------------------------------
abricate           (1)   fastp                 (1)   impi            (3)   lz4           (2)   pybigwig        (2)
alsa-lib           (1)   fastqc                (1)   intel-compilers (3)   lzo           (1)   pybind11        (2)
anaconda3          (2)   fasttree              (1)   intel           (3)   m4            (5)   pycoqc          (1)
ansys-dependencies (1)   fermi-lite            (1)   interproscan    (1)   maeparser     (2)   pysam           (2)
ant                (2)   ffmpeg                (1)   intervaltree    (1)   mafft         (1)   python-isal     (2)
any2fasta          (1)   ffnvcodec             (1)   intltool        (2)   make          (3)   python          (7)
archive-zip        (1)   fftw.mpi              (2)   ipython         (2)   makeinfo      (1)   pyyaml          (2)
archspec           (1)   fftw                  (3)   isa-l           (2)   mako          (2)   qhull           (2)
at-spi2-atk        (1)   file                  (2)   jags            (1)   mariadb       (1)   qiime2          (1)
at-spi2-core       (1)   filevercmp            (1)   jansson         (1)   mash          (1)   qt5             (2)
atk                (1)   flac                  (2)   jasper          (2)   matplotlib    (2)   quantumespresso (2)
augustus           (2)   flex                  (7)   java            (1)   maxquant      (1)   quast           (2)
autoconf           (4)   flexiblas             (3)   jbigkit         (2)   megahit       (2)   r               (3)
automake           (4)   flye                  (1)   jellyfish       (2)   mesa          (2)   rapidjson       (2)
autotools          (4)   fontconfig            (2)   jemalloc        (3)   meson         (2)   re2c            (2)
bamtools           (2)   foss                  (3)   jsoncpp         (1)   metaeuk       (2)   rjags           (1)
bbmap              (2)   freebayes             (1)   judy            (1)   metis         (2)   ruby            (2)
bcftools           (2)   freetype              (2)   julia           (1)   miller        (1)   rust            (2)
bcl2fastq2         (1)   fribidi               (2)   jupyter-server  (1)   miniconda3    (2)   salmon          (2)
beagle-lib         (2)   fsom                  (1)   jupyterlab      (1)   minimap2      (1)   samtools        (3)
beagle             (1)   gatk                  (1)   kallisto        (2)   mono          (1)   scafacos        (1)
beautifulsoup      (1)   gc                    (1)   kim-api         (1)   motif         (1)   scalapack       (3)
bedtools           (2)   gcc                   (3)   kraken2         (2)   mpfr          (2)   scikit-build    (1)
binutils           (6)   gcccore               (3)   kronatools      (1)   mrbayes       (2)   scipy-bundle    (2)
bio-db-hts         (1)   gcta                  (1)   lame            (2)   mrtrix        (1)   sdl2            (1)
bio-searchio-hmmer (2)   gdal                  (2)   lammps          (1)   multichoose   (1)   sepp            (2)
bioperl            (2)   gdk-pixbuf            (1)   lapack          (1)   multiqc       (2)   seqlib          (1)
biopython          (2)   geos                  (2)   libaio          (1)   mummer        (2)   seqtk           (2)
bison              (4)   gettext               (4)   libarchive      (3)   nasm          (2)   smithwaterman   (1)
blast+             (2)   gfbf                  (1)   libcerf         (2)   ncbi-vdb      (2)   snakemake       (2)
blast              (1)   gffcompare            (1)   libdeflate      (1)   ncurses       (6)   snappy          (2)
blat               (1)   gffread               (1)   libdrm          (2)   netcdf        (2)   spaceranger     (1)
blis               (3)   ghostscript           (2)   libepoxy        (1)   nettle        (2)   spades          (2)
boost.python       (2)   giflib                (1)   libev           (1)   networkx      (2)   spectra         (1)
boost              (2)   git                   (2)   libevent        (3)   nextflow      (2)   sqlite          (3)
bowtie             (1)   gitpython             (2)   libfabric       (3)   nghttp2       (1)   sra-toolkit     (1)
bowtie2            (2)   glib-networking       (1)   libffi          (3)   nghttp3       (1)   ssw             (1)
brotli             (2)   glib                  (2)   libgd           (2)   ngs           (1)   star            (2)
busco              (2)   glpk                  (2)   libgeotiff      (2)   ngtcp2        (1)   stringtie       (1)
bwa                (2)   gmap-gsnap            (1)   libgit2         (2)   ninja         (2)   suitesparse     (2)
bzip2              (3)   gmp                   (2)   libglu          (4)   nlohmann_json (1)   swig            (2)
c-ares             (1)   gnuplot               (2)   libglvnd        (2)   nlopt         (2)   szip            (2)
cairo              (2)   gnutls                (1)   libiconv        (2)   nodejs        (2)   tabixpp         (1)
canu               (2)   go                    (3)   libidn          (2)   nspr          (2)   tbb             (2)
capnproto          (1)   gobject-introspection (2)   libidn2         (2)   nss           (2)   tbl2asn         (2)
cd-hit             (2)   gompi                 (3)   libint          (2)   numactl       (3)   tcl             (3)
cellranger-arc     (1)   googletest            (1)   libjpeg-turbo   (2)   openbabel     (2)   tk              (2)
cellranger         (1)   gperf                 (2)   libnsl          (1)   openblas      (3)   tkinter         (2)
cereal             (1)   graphite2             (1)   libogg          (2)   openjpeg      (1)   tqdm            (1)
checkm-database    (1)   groff                 (2)   libopus         (1)   openmpi       (3)   trimmomatic     (1)
checkm             (2)   gromacs               (1)   libpciaccess    (3)   openpgm       (2)   trinity         (1)
clang              (3)   gsl                   (2)   libpng          (2)   openssl       (1)   ucc             (2)
cmake              (5)   gtdb-tk               (1)   libpsl          (1)   p11-kit       (1)   ucx             (3)
compress-raw-zlib  (1)   gtk2                  (1)   libreadline     (3)   pandoc        (1)   udunits         (2)
coordgenlibs       (2)   gtk3                  (1)   libsndfile      (2)   pango         (2)   unzip           (3)
cp2k               (2)   guile                 (1)   libsodium       (2)   parallel      (2)   util-linux      (2)
cppy               (2)   gzip                  (2)   libsoup         (1)   pcre          (2)   vcflib          (1)
cunit              (1)   h5py                  (1)   libtasn1        (1)   pcre2         (2)   vcftools        (2)
curl               (3)   harfbuzz              (2)   libtiff         (2)   perl          (5)   vep             (1)
cutadapt           (2)   hdf                   (2)   libtirpc        (2)   picard        (1)   voro++          (1)
db                 (2)   hdf5                  (2)   libtool         (4)   pigz          (2)   wget            (2)
db_file            (2)   help2man              (3)   libunistring    (1)   pillow        (2)   x11             (2)
dbd-mysql          (1)   hifiasm               (1)   libunwind       (2)   pixman        (2)   x264            (1)
dbus               (2)   hipsycl               (1)   libvorbis       (2)   pkg-config    (2)   x265            (1)
deeptools          (2)   hisat2                (2)   libwebp         (1)   pkgconf       (3)   xml-libxml      (2)
dendropy           (2)   hmmer                 (2)   libxc           (2)   pkgconfig     (1)   xorg-macros     (3)
diamond            (2)   htseq                 (1)   libxml2         (5)   plink         (1)   xvfb            (2)
double-conversion  (2)   htslib                (2)   libxslt         (1)   plotly.py     (2)   xxd             (2)
doxygen            (2)   humann                (1)   libxsmm         (2)   plumed        (2)   xz              (3)
easybuild          (2)   hwloc                 (3)   libyaml         (2)   pmix          (3)   yasm            (1)
eigen              (2)   hypothesis            (2)   littlecms       (2)   pocl          (1)   z3              (2)
elfutils           (2)   icu                   (2)   llvm            (2)   popt          (1)   zeromq          (2)
elpa               (2)   iimpi                 (3)   lmdb            (3)   pplacer       (1)   zip             (1)
expat              (2)   imagemagick           (2)   lpsolve         (2)   prodigal      (2)   zlib            (6)
fastahack          (1)   imkl-fftw             (2)   lua             (2)   proj          (2)   zstd            (2)
fastani            (1)   imkl                  (3)   lxml            (1)   prokka        (2)

------------------------------------------ /sw/local/rocky8/epyc3/rcc/modules ------------------------------------------
bolt-lmm (1)   eagleimp (1)   lisflood-fp (3)   vasp (4)

----------------------------------------- /sw/local/rocky8/noarch/rcc/modules ------------------------------------------
ansys     (1)   crisflash (1)   huygens        (2)   mathematica (1)   qctool  (1)   star-ccm+ (2)
asreml-as (1)   gaussian  (1)   ilastik        (1)   matlab      (1)   relion  (3)   wombat    (1)
basespace (1)   gurobi    (2)   localcolabfold (1)   orca        (1)   rstudio (1)

----------------------------------------- /sw/local/rocky8/noarch/qcif/modules -----------------------------------------
3d-dna              (1)   f5c          (1)   macs2         (1)   pear            (1)   shpc         (1)
biobakery_workflows (1)   fastool      (1)   maker         (1)   qapa            (1)   singlem      (1)
blast               (1)   gcta         (1)   medaka        (1)   qiime2-amplicon (1)   snap         (1)
braker3             (1)   gff3sort     (1)   mikado        (1)   qiime2-shotgun  (1)   sortmerna    (1)
cellbender          (1)   gmap         (1)   mira          (1)   racon           (1)   sqanti3      (1)
celseq2             (1)   gtdbtk       (1)   mixer         (1)   ratatosk        (1)   sra-tools    (1)
circlator           (1)   harvesttools (1)   mlst          (1)   raxml           (1)   srst2        (1)
dadi                (1)   hisat2       (1)   mtag          (1)   regenie         (1)   star         (1)
dfam                (1)   ipyrad       (2)   nanocompore   (1)   repeatmasker    (1)   suppa        (1)
diamond             (1)   iqtree       (1)   nanopolish    (1)   repeatmodeler   (1)   transdecoder (1)
dram                (1)   isoseq3      (1)   nextpolish    (1)   rmats-turbo     (1)   trinity      (1)
drep                (1)   juicer       (1)   nextpolish2   (1)   rsem            (1)   trinotate    (1)
edirect             (1)   kallisto     (1)   ont-fast5-api (1)   salsa2          (1)   unicycler    (1)
enrichm             (1)   kofamscan    (1)   parsnp        (1)   scvelo          (1)   xpore        (1)
exonerate           (1)   ldsc         (1)   pb-assembly   (1)   shovill         (1)


Software Survey Requests

In late 2022, we asked users to participate in the software survey to ascertain which tools were required on Bunya. The following table summarises the status of those requests.

Name Requests Responsible Completed
Anaconda 96 RCC YES
R 95 RCC YES
GNU compilers (gcc and gfortran) 74 RCC YES
bedtools 56 RCC YES
bamtools 53 RCC YES
fastqc 53 RCC YES
samtools 50 RCC YES
Singularity 49 RCC YES
bcftools 47 RCC YES
OpenMPI (Intel and/or GNU) 46 RCC YES
blast2 45 RCC YES
bowtie2 43 RCC YES
Matlab 41 RCC YES
trimmomatic 36 RCC YES
Intel Compilers (icc and ifort) 29 RCC YES
curl 29 RCC YES
gatk4 27 RCC YES
BLAS 26 RCC YES
IntelMPI 26 RCC YES
gcta 25 RCC YES
LAPACK 24 RCC YES
cutadapt 24 RCC YES
STAR 24 QCIF YES
fastp 23 RCC YES
hisat2 22 QCIF YES
hmmer 22 RCC YES
Julia 20 RCC YES
Gaussian 20 RCC YES
busco 20 RCC YES
picard 20 RCC YES
trinity 20 QCIF/RCC YES
beagle 19 RCC YES
htseq 18 RCC YES
seqtk 18 RCC YES
sra-tools 18 QCIF YES
augustus 17 RCC YES
cellRanger 16 RCC YES
multiQC 16 RCC YES
OpenJDK 15 RCC YES
canu 15 RCC YES
jellyfish 15 RCC YES
RepeatMasker 15 QCIF YES
deeptools 14 RCC YES
Gromacs 13 RCC YES
cd-hit 13 RCC YES
guppy 13 User YES ... User must install personally licensed copy
qiime2 13 RCC YES
transdecoder 13 QCIF YES
Orca 12 RCC
LAMMPS 12 RCC YES
gffcompare 12 RCC YES
hclust2 12 QCIF
kallisto 12 QCIF YES
pacbio 12 RCC/QCIF
snakemake 12 RCC YES
flye 11 RCC YES
interproscan 11 RCC YES
macs2 11 RCC
spades 11 RCC YES
trinotate 11 QCIF YES
VASP 10 RCC YES
diamond 10 RCC YES
gmap 10 QCIF
prokka 10 RCC Has been reinstalled due to a dependency issue
braker2 9 QCIF YES but has issues ?
checkm 9 RCC YES
htslib 9 RCC YES
kraken2 9 QCIF YES
mafft 9 RCC YES
maker 9 QCIF
nextflow 9 RCC YES
quast 9 RCC YES
pb-assembly 8 QCIF
repeatmodeler 8 QCIF
plink (inc plink 1.9) 8 RCC YES
exonerate 7 QCIF
iqtree 7 QCIF
VEP 7 RCC
ATLAS 6 RCC
Nimrod 6 RCC
krona 6 RCC YES
mauve 6 RCC
NextPolish 6 QCIF
SNAP 6 QCIF
StarCCM 6 RCC NEARLY
circlator 5 QCIF
isoseq3 5 QCIF
3d-dna 4 QCIF YES
edirect 4 QCIF
raxml 4 RCC
cp2k 4 RCC YES
eilmer4 4 User
plink2 4 RCC YES
neurodesk 4 User
abricate 3 RCC YES
celseq2 3 QCIF
dfam 3 QCIF
metaphlan 3 QCIF YES
mlst 3 QCIF YES
salsa 3 QCIF YES
spaceRanger 3 QCIF
pytorch/tensorflow/cuda 3 RCC
gtdb-tk 3 RCC YES
juicer 2 QCIF
maxquant 2 RCC YES
mira 2 QCIF
pear 2 QCIF
cmake 2 RCC YES
ansys 2 RCC YES
gurobi 2 RCC YES
AOCC 1
besst 1
dammit 1
NextDenovo 1
picrust2 1
rcorrector 1
shovill 1 QCIF YES
go (golang) 1 RCC YES
intel mkl 1 RCC YES
parallel 1 RCC YES
vcftools 1 RCC YES
mikado 0 QCIF
proovread 0 QCIF
ratatosk 0 QCIF
sortmerna 0 QCIF
humann 0 RCC YES
srst2 0 QCIF
rust 0 RCC YES

Post Software Survey Requests

These are requests that were not included in the software survey and have been requested since that time. They are necessarily lower priority.

Name Requested Ready? Note
DIA-NN 202303 NO Suitable download found. User is testing
Vienna RNA 202303 NO Installation via EB mechanism yet to be done after initial attempts failed.
Mr Bayes 202303 YES Installation by modified EB script mechanism successful. Submitting for deployment. Deployed!
VBZ Compression Tool NO
FoldX, Rosetta and RFdiffusion NO
LESYMAP 2023-06-01 YES HackyHour. Identified suitable docker image to use with Apptainer on Bunya.
REEF3D NO Was installed on Tinaroo previously. User to install with RCC guidance.