Available modules¶
Below is the software available in the "Aristotle" institutional cluster. Note that any software or application may be installed in more than one version.
Software that is added and maintained is under these categories:
- Centrally available software of AuTH που αδειοδοτείται με δυναμικές άδειες.
- GNU, Intel compilers
- Interpreted Programming Languages (such as
Python,R,Julia) - Software development tools (such as
Jupyter,Rstudio,Spyder) - Available EESSI software (
European Environment for Scientific Software Installations) - Scientific apps and tools after filling a request form
The central software installation in Aristotle is done either with RPM packages or with the tool spack which is a package manager for supercomputing infrastructures.
Request for software installation
If you wish to install software that is not listed below you can submit the relevant form.
Please note that you can install in your personal account on your own the following:
R packagesPython packagesin virtual environments- Software that can be downloaded without the need of admin permissions
Sofware and applications lists¶
Available software with gcc/12.2.0 and openmpi/4.1.6
---- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/openmpi/4.1.6-hhx6vab/gcc/12.2.0 ----
cosma/2.6.6-jog67rh netcdf-fortran/4.6.1-3ofd62q
costa/2.2.2-i3rec4v netlib-scalapack/2.2.0-qfopzlj
elpa/2023.05.001-62nogdy pfft/1.0.8-alpha-tugslxv
fftw/3.3.10-uusawd5 plumed/2.9.0-7j3r2uy
hdf5/1.14.3-hze6nhm sirius/7.4.3-m6fmwt4
libvdwxc/0.4.0-7ier7fw spfft/1.0.6-zhpahmv
netcdf-c/4.9.2-464tiet spla/1.5.5-atlfowd
---- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/gcc/12.2.0 ----
alembic/1.8.5-tntmoad
alsa-lib/1.2.3.2-nlii2eo
ant/1.10.13-zlkd5jw
apr-util/1.6.3-ih3wybi
apr/1.7.4-t4qqqjl
at-spi2-atk/2.38.0-fj4i2me
at-spi2-core/2.48.3-k6yjqn3
atk/2.38.0-uobioln
autoconf/2.69-tqaqvlj
automake/1.16.5-yznb72u
bazel/4.2.2-uwga2ht
bdftopcf/1.1-zbmvnd4
berkeley-db/18.1.40-mtbvuoh
binutils/2.40-erqosqu
bison/3.8.2-73h76ba
boost/1.83.0-vqngcx2
brotli/1.1.0-kil5hnb
bzip2/1.0.8-5y3ld6d
c-ares/1.15.0-vf75e3s
c-blosc/1.21.2-fqor6eo
ca-certificates-mozilla/2023-05-30-gumf4y2
cairo/1.16.0-meyrbpc
chrpath/0.16-j5jhbvx
cmake/3.27.7-5e5joxa
cminpack/1.3.6-tqciyeg
cuda/12.2.1-bxtxsod
cudnn/8.4.0.27-11.6-tkfpogi
curl/8.4.0-ukyplza
damageproto/1.2.1-qk7xf5d
dbus/1.13.6-yl6rzq4
diffutils/3.9-r4oh7zk
docbook-xml/4.5-ej726hw
docbook-xsl/1.79.2-4ykvsqf
doxygen/1.9.6-elchrch
dsfmt/2.2.5-3sy433e
elfutils/0.189-5h6xmm6
embree/3.8.0-7kxmq2x
expat/2.5.0-r7guoni
ffmpeg/6.0-6f6c5dh
findutils/4.9.0-uj3c4fr
fixesproto/5.0-4xjt5lh
flex/2.6.1-v3mwo6y
fltk/1.3.7-jd6ntdn
font-util/1.4.0-ve3fulq
fontconfig/2.14.2-sn6d53a
fontsproto/2.1.3-phdf2ov
freeglut/3.2.2-swk27km
freetype/2.13.2-oelqmvz
fribidi/1.0.12-a2tlhtd
gatk/4.3.0.0-ywj2oru
gawk/5.2.1-zspgbpo
gdal/3.7.0-q74mfxl
gdbm/1.23-y5afcke
gdk-pixbuf/2.42.10-nz7q35h
geos/3.11.2-7odh24d
gettext/0.21.1-vmmuih2
git/2.44.0-hnmloet
glew/2.2.0-gqdhfeo
glfw/3.3.8-xxlsbqk
glib/2.76.1-ygeayns
glm/0.9.9.8-yv2vpyq
glproto/1.4.17-alynwvk
glx/1.4-biuikh7
gmake/4.4.1-pdrssna
gmp/6.2.1-4xagtza
gnuplot/5.4.10-y5ctgjc
go-bootstrap/1.17.13-rkabecv
go/1.20.3-lmcyh3f
gobject-introspection/1.76.1-uli6q4t
gperf/3.1-psug5fm
graphviz/8.0.1-6iznwa2
gsl/2.7.1-4ymtabo
gtkplus/3.24.29-hwphvxm
gzip/1.11-ddfwf4k
harfbuzz/7.3.0-i7opxm6
hip/5.6.1-ytyyxck
htslib/1.16-rwon2vy
hwloc/2.9.1-dzu22mz
icu4c/67.1-6yhrx5f
ilmbase/2.3.0-abnn47c
imath/3.1.9-f5grjwj
inputproto/2.3.2-scou5yl
intel-tbb/2020.3-iorb6ip
intltool/0.51.0-6c2xe6p
ispc/1.20.0-f3hl7q7
jasper/3.0.3-ugckxj7
jemalloc/5.3.0-ifkvoml
json-c/0.16-nhbyppl
json-glib/1.6.6-pzklbri
julia/1.9.2-a4blqj5
kbproto/1.0.7-ejy4ceq
krb5/1.20.1-xzpiskr
libaec/1.0.6-tjwebea
libblastrampoline/5.8.0-vnqudrp
libbsd/0.11.7-3rof6uq
libcap/2.68-k37srcr
libcroco/0.6.13-36nzz6d
libdeflate/1.10-4nipm7t
libedit/3.1-20210216-2gjjbng (L)
libepoxy/1.4.3-o4wzohz
libevent/2.1.12-g4joe5k (L)
libffi/3.4.2-3umwl7c
libfontenc/1.1.7-nc3m2wp
libgcrypt/1.10.2-6i5zgog
libgeotiff/1.6.0-n3chidl
libgit2/1.5.2-ubumyy2
libgpg-error/1.47-5a5n6ug
libharu/2.3.0-xbnxl5m
libice/1.0.9-3gjffrj
libiconv/1.16-7mgb7ad
libidn/1.38-fh7wwrs
libidn2/2.3.4-64dbxmb
libint/2.6.0-oof7tlh
libjpeg-turbo/2.1.3-4sdwutv
libjpeg/9e-o4sv662
libmd/1.0.4-6sifchp
libnl/3.3.0-5y27d2h (L)
libpng/1.6.37-prlpxlo
libpthread-stubs/0.4-yqvevk4
librsvg/2.40.20-ue7rimm
libsigsegv/2.14-sxrussu
libsm/1.2.3-7k5jw75
libsndfile/1.0.28-g6unp43
libssh2/1.10.0-6bnwsl4
libtiff/4.5.0-zcdx4zg
libtirpc/1.2.6-zrbulk2
libtool/2.4.7-7wp75yj
libunistring/1.1-oyrlqd2
libuv-julia/1.44.2-z26nfw6
libvori/220621-nn722mq
libwebp/1.2.4-mbguv7a
libwhich/1.1.0-xcpt3wq
libx11/1.8.4-fpmuf7j
libxau/1.0.8-ysud5k2
libxc/6.2.2-obc53na
libxcb/1.14-vd3kbow
libxcrypt/4.4.33-6rmkmx6
libxcursor/1.2.1-zcyavct
libxdamage/1.1.4-x4erzv3
libxdmcp/1.1.4-efuxdzb
libxext/1.3.3-jjhmofn
libxfixes/5.0.2-vuammcw
libxfont/1.5.4-tnmzc7p
libxft/2.3.2-vu5a2q3
libxi/1.7.6-ajemze7
libxinerama/1.1.3-eguwje7
libxkbcommon/1.4.0-p2tl2oq
libxkbfile/1.0.9-fxnzayq
libxml2/2.10.1-kft6dqo (L)
libxrandr/1.5.3-o32rzxm
libxrender/0.9.10-rsvpmgb
libxscrnsaver/1.2.2-dhrn25h
libxslt/1.1.33-tly7zma
libxsmm/1.17-56cckrg
libxt/1.1.5-ugpjhc5
libxtst/1.2.2-diq3ozy
libxxf86vm/1.1.4-2a544wy
libyaml/0.2.5-3z7wmld
llvm/17.0.4-u32no7e
lua/5.3.6-tc53mpm
lz4/1.9.4-egwt3hc
m4/1.4.19-rs7bkfn
mbedtls/2.28.0-at2zcgo
mesa-glu/9.0.2-xvvghge
mesa/22.1.6-qy2mbcv
meson/1.2.1-4hewnkg
metis/5.1.0-vgyynzz
miniconda3/22.11.1-jophx4h
mkfontdir/1.0.7-p6s32i6
mkfontscale/1.2.2-okifsew
mpfr/4.1.0-d2lfdgr
mscgen/0.20-eo3tgm3
ncurses/6.4-hpkfafv
netlib-lapack/3.11.0-4wo4pn5
nghttp2/1.48.0-af6oup2
ninja/1.11.1-fcghhja
node-js/18.12.1-uu3zfhg
numactl/2.0.14-xhgwz4h (L)
openal-soft/1.23.1-6kyvqb4
openblas/0.3.24-miw7zzh
openexr/3.2.2-op3atim
openimagedenoise/2.1.0-dqkyxgl
openimageio/2.5.7.0-5du6hct
openjdk/11.0.17_8-zebg2wy
openjpeg/2.5.0-2cjzivs
openlibm/0.8.1-lzkekea
openmpi/4.1.6-hhx6vab (L)
openssh/9.3p1-tc2rr4e
openssl/3.1.3-mdgpqrk
opensubdiv/3.5.1-etvr773
ovito/3.6.0
p7zip/16.02-yqps5mp
pango/1.50.13-fdhqgku
parallel/20220522-75a5dcj
patchelf/0.16.1-7z4gdz6
pcre/8.45-pgnpl7w
pcre2/10.42-gbgyemu
perl-data-dumper/2.173-la5n7tg
perl-encode-locale/1.05-bltflnh
perl-extutils-config/0.008-k5ohuvu
perl-extutils-helpers/0.026-3hhphqs
perl-extutils-installpaths/0.012-vfw4a3c
perl-file-listing/6.04-thjp4x3
perl-file-which/1.27-xb6bl7c
perl-html-parser/3.72-4sh52o6
perl-html-tagset/3.20-mni2fq2
perl-http-cookies/6.10-pu7d2zw
perl-http-daemon/6.01-v57ccqa
perl-http-date/6.02-xxnpc6i
perl-http-message/6.44-kpsylay
perl-http-negotiate/6.01-af6sidp
perl-io-html/1.004-hm7fee3
perl-libwww-perl/6.68-nnr5nls
perl-lwp-mediatypes/6.02-z2i37nt
perl-module-build-tiny/0.039-owy6coc
perl-module-build/0.4232-ja465mt
perl-net-http/6.22-mkexv7g
perl-test-needs/0.002010-puu2oqa
perl-try-tiny/0.31-cxum32f
perl-uri-encode/1.1.1-7wswdwt
perl-uri/5.08-6vb7eon
perl-www-robotrules/6.02-yvral7d
perl-xml-parser/2.46-cnnfczg
perl/5.36.0-bwc4abx
pigz/2.7-slwe4eo
pixman/0.42.2-kba2sou
pkgconf/1.9.5-3pqtp3u
pmix/5.0.1-44nnu7z
postgresql/15.2-axr2yp2
proj/9.2.0-qd36fyi
protobuf/3.20.3-paqzarl
pugixml/1.14-4vmsz4n
py-alabaster/0.7.13-fuhrwwl
py-appdirs/1.4.4-e27xjms
py-archspec/0.2.0-voilmdv
py-argcomplete/2.0.0-mmv674r
py-asciitree/0.3.3-6vunayh
py-attrs/22.2.0-slowzuw
py-babel/2.12.1-nku4jn7
py-beniget/0.4.1-rl3h5uf
py-bottleneck/1.3.5-6cwwoai
py-build/0.10.0-2pbc2wt
py-cachecontrol/0.12.11-7ndiv4y
py-cachy/0.3.0-qtf4jic
py-calver/2022.6.26-72wajfg
py-certifi/2023.7.22-6g5cenm
py-cffi/1.15.1-uw7khdm
py-cftime/1.0.3.4-xeomzk3
py-charset-normalizer/3.3.0-znmgsw6
py-cleo/1.0.0a5-sinwzb7
py-click/8.1.3-gs2szpj
py-configargparse/1.2.3-liekmvi
py-connectionpool/0.0.3-2iu7fkk
py-contourpy/1.0.7-s5kzyhf
py-cppy/1.2.1-uphbn3l
py-crashtest/0.3.1-s64j3om
py-cycler/0.11.0-ptstuco
py-cython/3.0.4-2dnyziy
py-datrie/0.8.2-jgv5eng
py-distlib/0.3.6-susm4wd
py-docutils/0.20.1-6tgbavf
py-dulwich/0.20.46-hqso2ap
py-editables/0.3-6h2yzmo
py-entrypoints/0.4-2musfjb
py-fasteners/0.18-uta5syq
py-fastjsonschema/2.16.2-ex6bxgr
py-filelock/3.12.0-5ifnq43
py-flit-core/3.9.0-rnw7ecz
py-fonttools/4.37.3-6ctla4n
py-frozenlist/1.3.1-othyhdr
py-fsspec/2023.1.0-6fdn7dm
py-fypp/3.1-xz6host
py-gast/0.5.3-7qzlmsj
py-gitdb/4.0.9-4v5dqsp
py-gitpython/3.1.27-dv2zggc
py-grpcio/1.43.0-br4dxru
py-hatch-fancy-pypi-readme/22.7.0-qtll327
py-hatch-vcs/0.3.0-xkbqdlx
py-hatchling/1.18.0-k7vm64w
py-html5lib/1.1-wjjl725
py-idna/3.4-73y33aq
py-imagesize/1.4.1-cayxazg
py-importlib-metadata/6.6.0-36cjtmm
py-jaraco-classes/3.2.3-qt2thj5
py-jeepney/0.8.0-bouxglx
py-jinja2/3.1.2-rkig525
py-jsonschema/4.17.3-j3jftib
py-jupyter-core/4.11.1-e7szbdl
py-kiwisolver/1.4.4-w2z5j7n
py-llvmlite/0.40.0-m346pqz
py-lockfile/0.12.2-hqbzn53
py-lxml/4.9.1-skhw6go
py-mako/1.2.2-ov4pino
py-markupsafe/2.1.1-zggza2l
py-matplotlib/3.7.3-i4h5nvg
py-meson-python/0.13.1-cbf7y5q
py-more-itertools/9.1.0-d5ayevf
py-msgpack/1.0.4-w2roos4
py-nbformat/5.4.0-jjkcqtu
py-numba/0.57.0-7l6fdjr
py-numcodecs/0.11.0-bwih2e6
py-numexpr/2.8.3-ay3dot7
py-numpy/1.26.1-ovllvxj
py-packaging/23.1-x67nf5d
py-pandas/1.5.3-na4utd5
py-pathlib2/2.3.7.post1-uwfdfim
py-pathspec/0.11.1-tyumij3
py-pbr/5.10.0-fvxdcrl
py-pexpect/4.8.0-azg4cpz
py-pillow/9.5.0-njslboh
py-pip/23.1.2-5qjjqbl
py-pkgconfig/1.5.5-4mxdgzl
py-pkginfo/1.9.6-fbj6jkq
py-platformdirs/3.5.0-wayqvng
py-pluggy/1.0.0-qr7pzfo
py-ply/3.11-o5yb6zz
py-poetry-core/1.2.0-fodbpsi
py-poetry-plugin-export/1.0.7-4co5mnc
py-pooch/1.7.0-ozou6nn
py-protobuf/3.20.3-ewk45rs
py-psutil/5.9.2-b2sgtxi
py-ptyprocess/0.7.0-2euy3pz
py-pulp/2.6.0-cdksge3
py-py-cpuinfo/9.0.0-jm7ysaq
py-pybind11/2.11.0-vhmpdq5
py-pycollada/0.7.2-d4ogtpf
py-pycparser/2.21-bkxxfoa
py-pygments/2.16.1-is2muvc
py-pylev/1.4.0-nlunyo3
py-pyparsing/3.0.9-ihngty7
py-pyproject-hooks/1.0.0-yz3afwm
py-pyproject-metadata/0.7.1-ofxkrw4
py-pyrsistent/0.19.3-w2qid44
py-pysolar/0.8-w6e6hxx
py-python-dateutil/2.8.2-lfzoq6c
py-pythran/0.12.2-3wdqtu5
py-pytz/2022.2.1-tt6vkgy
py-pyyaml/6.0-oa3bwew
py-ratelimiter/1.2.0.post0-gjpvdwf
py-requests-toolbelt/0.9.1-xi52c56
py-requests/2.31.0-mail3qi
py-scipy/1.11.3-2zqskki
py-semantic-version/2.10.0-clt7yrl
py-semver/2.8.1-wbaeb3i
py-setuptools-rust/1.6.0-p32p4bd
py-setuptools-scm-git-archive/1.4-3ph6jya
py-setuptools-scm/7.1.0-no2xu2f
py-setuptools/67.6.0-vbylewi
py-shellingham/1.5.0-agpgzkw
py-six/1.16.0-pvumrdx
py-smart-open/5.2.1-ujxsr2x
py-smmap/5.0.0-7hvzrqz
py-snowballstemmer/2.2.0-dtjveew
py-sphinx/7.2.3-qkkp7sx
py-sphinxcontrib-applehelp/1.0.4-ikowre6
py-sphinxcontrib-devhelp/1.0.2-3yfszky
py-sphinxcontrib-htmlhelp/2.0.1-mg2p43t
py-sphinxcontrib-jsmath/1.0.1-akkslyq
py-sphinxcontrib-qthelp/1.0.3-a3x7iox
py-sphinxcontrib-serializinghtml/1.1.9-4c3ksnb
py-stopit/1.1.2-xt4apit
py-tabulate/0.8.9-ee6u2kh
py-tomli/2.0.1-zsxwaut
py-tomlkit/0.12.1-w2dtaya
py-toposort/1.6-dudrjy4
py-traitlets/5.3.0-mxozoup
py-trove-classifiers/2023.8.7-xo3ankr
py-typing-extensions/4.8.0-ogsfihx
py-tzdata/2023.3-iweinmy
py-urllib3/2.0.6-mnjwqrh
py-versioneer/0.28-gxvu5od
py-virtualenv/20.22.0-ezhit27
py-webencodings/0.5.1-oe3infp
py-wheel/0.37.1-7xrd36e
py-wrapt/1.14.1-kc6ptow
py-wxpython/4.1.1-tbohy23
py-xarray/2022.3.0-2d5hqu3
py-zarr/2.10.2-wxcrjip
py-zipp/3.17.0-5y7vdh2
python/3.10.10-lufnu2b
qhull/2020.2-h2e5zan
r-codetools/0.2-19-jvgeek3
r-cpp11/0.4.3-fvec4gr
r-here/1.0.1-272sou3
r-jsonlite/1.8.4-qftqpq6
r-lattice/0.21-8-fjxz743
r-matrix/1.5-1-6vax5py
r-png/0.1-7-fjdrhst
r-ragg/1.2.5-x4im6lc
r-rappdirs/0.3.3-t6c5757
r-raster/3.6-20-h3bbfsa
r-rcpp/1.0.10-kbiwpnt
r-rcpptoml/0.2.2-ujtla34
r-reticulate/1.26-ocsnnd6
r-rprojroot/2.0.3-4lfulwv
r-sp/1.6-0-g7b4uwr
r-systemfonts/1.0.4-uz57hst
r-terra/1.7-29-muxdr2e
r-textshaping/0.3.6-cntny35
r-withr/2.5.0-ptsk64y
r/4.4.0-ervxjzd
randrproto/1.5.0-pb5crcb
rdma-core/41.0-wotpcn7
re2/2021-06-01-aovmq5p
re2c/2.2-ri6vufj
readline/8.2-372nqna
recordproto/1.14.2-6chynji
renderproto/0.11.1-m532eqr
ruby/3.1.0-zeqjxjm
rust/1.65.0-kxmpqbm
samtools/1.16.1-uur63q4
scons/4.5.2-rmmq3ty
scrnsaverproto/1.2.2-i73ksig
sdl2/2.26.5-3zbdps7
sed/4.9-5x5ukme
serf/1.3.9-qzdkk7s
shared-mime-info/1.10-k3sv3rn
snakemake/6.15.1-tdkrnkp
snappy/1.1.10-6zutf6k
spglib/2.1.0-ndr3lyi
sqlite/3.39.4-dtmskky
subversion/1.14.1-nkq7k24
suite-sparse/5.13.0-ff4ov3l
swig/4.1.1-vz3jzwh
tar/1.34-wo3bwa4
tcl/8.6.12-lhv3hq6
tcsh/6.18.01-wzaxkkk
texinfo/6.5-ga25z4w
time/1.9-cvkkv63
tk/8.6.11-74gh3ee
ucx/1.14.1-lnt4bbk
unifdef/2.12-pmhpupd
unzip/6.0-gczu3ya
utf8proc/2.8.0-5nefua6
util-linux-uuid/2.38.1-3jayzaq
wayland-protocols/1.31-mhds3a2
wayland/1.22.0-k5wmkmp
which/2.21-ubcsflu
wxwidgets/3.2.2.1-acurwgi
xcb-proto/1.14.1-fbmrruj
xextproto/7.3.0-hnxsqzl
xf86vidmodeproto/2.3.1-wkzevmf
xineramaproto/1.2.1-m7uv4bo
xkbcomp/1.4.4-3vhzub7
xkbdata/1.0.1-cxngqbx
xmlto/0.0.28-xz4yo27
xproto/7.0.31-pqcmamt
xrandr/1.5.0-gzhc3ts
xtrans/1.4.0-k5edjn4
xz/5.4.1-lux543a
yasm/1.3.0-nuln2pi
zip/3.0-3bpsr4j
zlib/1.2.13-ns34lrf (L)
zstd/1.5.2-rvxzea2
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-rocky9-x86_64/Core ------
intel-oneapi-compilers/2024.1.0-kv3sjd5
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core -----
gcc/12.2.0 (L) intel/19.0.5 nvhpc/23.11-do7ymsa
----------------------- /mnt/apps/prebuilt/modulefiles ------------------------
ASReml/4.1.0 ansys/2024R1
AnsysEM/2024R1 bayescan/2.1
Bismark/v0.24.2 btllib/1.7.3
CARLA/v0.9.15 cadence/v2024
CESM/v2.1.4 crystal23/v1.0.1
CONVERGE-IntelMPI/3.0.24 cst/2023
CONVERGE-IntelMPI/3.0.8 examl/3.0.21
CONVERGE-IntelMPI/cvg/3.0.24 fds/6.7.5
CONVERGE-IntelMPI/mpi/3.0.24 flo/1.1.0
CONVERGE-IntelMPI/udf/3.0.24 gaussian/16_c02_avx2
CONVERGE-IntelMPI/utilities/3.0.24 gurobi/10.0.1
CONVERGE-OMPI/3.0.8 idl/8.4
CONVERGE-OMPI/cvg/3.0.8 iqtree/1.6.11
CONVERGE-OMPI/mpi/3.0.8 liftOverPlink/dev
CONVERGE-OMPI/udf/3.0.8 matlab/R2024a
CONVERGE-OMPI/utilities/3.0.8 metashape/2.0.1
CONVERGE/3.1.12 modeltest/0.1.5
Chaste/2017.1 multistrand/2.1.3
Ferret/7.5.0 mumax/3.10
GAMS/48.2.0 nextflow/24.04.4
GEMMA/0.98.1 ollama/0.1.32
HYSPLIT/5.3.0 openCARP/0f7d8000
LDBlockShow/90679e1 openEMS/0.0.35
Mathematica/12.0.0 orca/6.0.1-openmpi-4.1.6
MrBayes/3.2.7a panoply/5.2.3
NAMD/3.0b6 plink/v1.9
NBO/7.0 pycharm/2021.1.3
NUPACK/3.2.2 raxml-ng/0.9.0
OpenCilk/9.0.1 reframe/4.6.1
OpenSees/3.1.0 rstudio/2024.04.2-764
OpenVSP/3.40.1 sambada/0.8.1
PartitionFinder/2.1.1 spades/4.0.0
PatternCNV/1.0 splitstree/3
QChem/6.1 subread/2.0.3
R/3.6.3-intel synopsys/v2023.12
REACTA/0.9.7 thermo_pw/1.1.1
STAR-CCM/17.02.008-R8 tilde/1.1.3
STAR-CD/4.30.029 turbomole/7.8
STEMSim/R643 unity/6000.0.22f1
STRUCTURE/v2.3.4 vapor/3.9.3
WPS/4.1.2-intel vcftools/v0.1.16
WRF/4.1.2-intel vmd/1.9.4
abaqus/2024 vscode/1.94.0
admixture/1.3.0 xcrysden/1.6.2
amber/24 ximmer/9d165ea
ansa/v24.1.2 xtb/6.3.3
------------------------ /mnt/apps/custom/modulefiles -------------------------
Blender/v3.3.16 einstein-toolkit/Kowalevski
CloudCompare/2.14.alpha gffcompare/ebef7e0
DL_MESO/2019 harp/1.23
DualSPHysics/5.4.323 jblas/v1.2.4
Garfield++/4.0 lammps/20220623-ampere
MESA/r15140 libgd/2.3.3-4hjt45p
ProDiMo/2.0.0 libradtran/2.0.4
castep/20.11 lositan/4ed774c
centos8 morphographx/2.0
cloudy/c23.01 obitools4/2024.11.13
coda/2.25.2 platanus/v1.2.4
ecaccess-webtoolkit/6.3.1 texlive/2024
-------------------- /usr/share/lmod/lmod/modulefiles/Core --------------------
lmod settarg
Where:
L: Module is loaded
If the avail list is too long consider trying:
"module --default avail" or "ml -d av" to just list the default modules.
"module overview" or "ml ov" to display the number of modules for each name.
Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching
any of the "keys".
Available software with gcc/13.2.0 and openmpi/4.1.6
---- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/openmpi/4.1.6-fwujvwm/gcc/13.2.0 ----
cdo/2.2.2-lk7qwra netcdf-c/4.9.2-q2ft6xq
esmf/8.2.0-6d2yrvp netcdf-fortran/4.6.1-yd6jaie
fftw/3.3.10-jwd3vg3 netcdf95/0.3-5nj6uv2
hdf5/1.14.3-mixqsou parallel-netcdf/1.12.3-yvmfhqj
ncl/6.6.2-xxnmy2l wps/4.5-vmonyar
nco/5.1.6-sex4mtn wrf/4.5.1-ghidb4i
ncview/2.1.9-unqsnyy
---- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/gcc/13.2.0 ----
abseil-cpp/20240116.2-qimn3sq
antlr/2.7.7-7yytdj4
apptainer/1.1.9-xbwwi67
assimp/5.3.1-2mmbpba
atk/2.38.0-hdzq4qb
autoconf-archive/2023.02.20-thu575m
autoconf/2.72-dggslzk
automake/1.16.5-6g7bcyo
axel/2.17.10-ztozfeg
bdftopcf/1.1-nyrl4nq
berkeley-db/18.1.40-2sycqap
bison/3.8.2-u36kvzy
brotli/1.1.0-olhp3g4
bzip2/1.0.8-4iiyulu
c-blosc/1.21.5-536hekf
ca-certificates-mozilla/2023-05-30-x5f4fgs
cairo/1.16.0-4gfshg7
cmake/3.27.9-uxdlqo3
compositeproto/0.4.2-bofujqm
conmon/2.1.7-mbfc5u7
cuda/12.4.0-obe7ebz
curl/8.7.1-5oim4q4
diffutils/3.10-pzwdno7
docbook-xml/4.5-aax2okk
docbook-xsl/1.79.2-3s4nuag
double-conversion/3.3.0-jjfaztb
eccodes/2.34.0-due5yfa
elfutils/0.190-3w5sfx3
expat/2.6.2-7pacpsw
findutils/4.9.0-4ynyuzs
fixesproto/5.0-gt2lf5t
flex/2.6.3-xfa6lre
font-util/1.4.0-7ecqqbk
fontconfig/2.15.0-gcvzkaa
fontsproto/2.1.3-6os4doz
freetype/2.13.2-3eqhmns
fribidi/1.0.12-cwwpqs4
gapbs/1.4-s53tauh
gawk/5.3.0-7zpajaf
gcc-runtime/13.2.0-p3ytakl
gdal/3.8.5-7kwk6md
gdk-pixbuf/2.42.10-y6paspa
geos/3.12.1-kixxd3k
git/2.44.0-uqofwjx
glib/2.78.3-3esfbmj
glibc/2.34-bvg6gnp
glproto/1.4.17-ukkfr2n
glx/1.4-lv7dzm7
gmake/4.4.1-4qcmieo
gmp/6.2.1-6uvrtn3
go-bootstrap/1.20.6-yioanqs
go-md2man/2.0.3-5m6btmq
go/1.22.2-5xwgfmo
gobject-introspection/1.76.1-6jo4puz
gperf/3.1-lfzjct3
graphite2/1.3.14-cfdqvpj
gsl/2.7.1-vkesskz
harfbuzz/7.3.0-j2ecawa
hdf/4.2.15-ivygaxc
hwloc/2.9.1-54kh4kj
icu4c/67.1-2a4xm74
inputproto/2.3.2-cthp2yx
intltool/0.51.0-jsd2if3
jasper/3.0.3-xouy4cv
json-c/0.16-wwhwtze
kbproto/1.0.7-wwtu46b
krb5/1.20.1-s65o7mg
lcms/2.13.1-fckhmp4
libaec/1.0.6-rz62i3z
libedit/3.1-20230828-42647nl
libevent/2.1.12-554ktf7
libfontenc/1.1.8-4ykbuqy
libfuse/3.16.2-yi4jocw
libgeotiff/1.7.1-f5sqb2a
libgpg-error/1.49-ogqagi6
libice/1.0.9-joxop5d
libidn2/2.3.7-o6ue33v
libjpeg-turbo/3.0.0-5g5ang3
libmd/1.0.4-lswexik
libmng/2.0.3-62gsphb
libnl/3.3.0-zhz6bwv
libpng/1.6.39-kmfu3ea
libpthread-stubs/0.4-n4qlate
librsvg/2.40.20-tihpdal
libseccomp/2.5.4-wfeg6qa
libsm/1.2.3-5iyf6op
libtiff/4.5.1-nq5dfkf
libtirpc/1.3.3-lzobf6n
libtool/2.4.7-7peuhkk
libunistring/1.2-4yii5jy
libx11/1.8.7-lpy7pcx
libxau/1.0.8-r3zal74
libxcb/1.14-xo5rtt4
libxcomposite/0.4.6-uaozvil
libxcrypt/4.4.35-vevnm6s
libxext/1.3.3-axvspuk
libxfixes/5.0.2-v42h5lf
libxfont/1.5.4-qnga5sz
libxft/2.3.2-mziafjv
libxi/1.7.6-bm25yl3
libxkbcommon/1.5.0-pohxp35
libxkbfile/1.0.9-peunhat
libxml2/2.10.3-zdoh2ib (L)
libxrandr/1.5.3-4qmooep
libxrender/0.9.10-2rkuunf
libxscrnsaver/1.2.2-ix4mi2r
libxt/1.3.0-cdy3al7
libxtst/1.2.2-ro2vsz4
llvm/16.0.6-mbyvxrv
lua/5.3.6-uhuprgh
lz4/1.9.4-yvgjuv6
lzo/2.10-wgq4iev
m4/1.4.19-325mrqv
makedepend/1.0.8-iha4cpz
mesa/23.0.3-pzjhld2
meson/1.3.2-wgwunki
miniconda3/24.3.0-lxaq4g2
mkfontdir/1.0.7-wupvepo
mkfontscale/1.2.3-unaqpwm
mpfr/4.2.0-vr5hiyn
mvapich/3.0b-y2fepmz
nasm/2.15.05-zwh5efs
ncurses/6.5-dp4kc7i
nghttp2/1.57.0-wyzrf43
ninja/1.11.1-qndrzjm
numactl/2.0.14-2pnzp4e
openblas/0.3.26-42hdmbx
openjpeg/2.3.1-xq5n4kc
openmpi/5.0.3-6dq3ick
openssh/7.4p1-y3bwtnd
openssl/3.3.0-nauyh2d
pango/1.48.11-yooz53f
pcre2/10.43-phvtryg
perl-clone/0.46-wxib6lb
perl-data-dumper/2.173-6md6vdh
perl-encode-locale/1.05-hg6cgye
perl-extutils-config/0.008-ib3u6rp
perl-extutils-helpers/0.026-wb5jqz4
perl-extutils-installpaths/0.012-7fxrg2c
perl-file-listing/6.04-jjhdcj2
perl-html-parser/3.72-jorusrg
perl-html-tagset/3.20-3tkmzep
perl-http-cookies/6.10-nrvmzir
perl-http-daemon/6.01-3r5dogb
perl-http-date/6.02-jqoe6o2
perl-http-message/6.44-ygxw4zh
perl-http-negotiate/6.01-jiz4ygs
perl-io-html/1.004-gtlbvja
perl-libwww-perl/6.68-6d2377h
perl-lwp-mediatypes/6.02-wz6ap3d
perl-module-build-tiny/0.044-2fyxiem
perl-module-build/0.4232-3vu4hto
perl-net-http/6.22-ckplke4
perl-test-needs/0.002010-n5ytpa6
perl-try-tiny/0.31-u6m2ylc
perl-uri/5.08-6daqq53
perl-www-robotrules/6.02-itk3a7k
perl-xml-parser/2.46-smgydnp
perl/5.38.0-ymvsmvb
pigz/2.8-vzs22z3
pixman/0.42.2-rtt6nwk
pkg-config/0.29.2-aczzj4u
pkgconf/2.2.0-dzpsfnx
pmix/5.0.1-x3zhmyo
proj/9.2.1-p2buzmc
protobuf/3.25.3-zxeaksu
py-cython/3.0.8-zx3ay3z
py-docutils/0.20.1-5zde3uc
py-mako/1.2.4-dk6ibip
py-markupsafe/2.1.3-ganjqcj
py-pip/23.1.2-4ac7foq
py-setuptools/69.2.0-ohb6gya
py-wheel/0.41.2-zyh246y
python-venv/1.0-zn2jog3
python/3.12.1-tmul2ds
qt/5.15.11-7iic7wr
randrproto/1.5.0-khfzxgz
rdma-core/51.0-zctaxxm
re2c/2.2-gu5mfk4
readline/8.2-2zrwzdw
recordproto/1.14.2-33naej7
redis/7.0.5-6jb2u6g
renderproto/0.11.1-m3av6jz
samtools/1.2-2g34ynl
scrnsaverproto/1.2.2-pkyp5bz
shared-mime-info/1.10-brpw4hk
snappy/1.1.10-koav5yj
sqlite/3.43.2-oy7k5kn
squashfs/4.6.1-pkvdiu3
squashfuse/0.5.0-2rhlt6o
swig/4.1.1-qdxgfq4
tar/1.34-2qyrerb
tcsh/6.18.01-sik5m6d
texinfo/7.0.3-mgpskic
time/1.9-arhygfk
ucc/1.3.0-iql463q
ucx/1.16.0-6red6mk
udunits/2.2.28-r2vrxcn
unzip/6.0-fuiylly
util-linux-uuid/2.38.1-wfixtnm
which/2.21-v2d5ph5
xcb-proto/1.16.0-olrwt5u
xcb-util-image/0.4.1-rsjqjkq
xcb-util-keysyms/0.4.1-m5dxo6b
xcb-util-renderutil/0.3.10-soxjeio
xcb-util-wm/0.4.2-hyfans2
xcb-util/0.4.1-2lr5tgv
xextproto/7.3.0-ip5mkd7
xkbcomp/1.4.4-7jtbhbw
xkbdata/1.0.1-ikoin2u
xproto/7.0.31-n5cjmjy
xrandr/1.5.0-yx2trrb
xtrans/1.4.0-ppglmxm
xz/5.4.6-c5fwcpz
zlib-ng/2.1.6-5cp3e7t
zlib/1.3-674kaa5
zstd/1.5.6-yqfr2ba
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-rocky9-x86_64/Core ------
intel-oneapi-compilers/2024.1.0-kv3sjd5
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core -----
gcc/12.2.0 intel/19.0.5 nvhpc/23.11-do7ymsa
----------------------- /mnt/apps/prebuilt/modulefiles ------------------------
ASReml/4.1.0 bayescan/2.1
AnsysEM/2024R1 btllib/1.7.3
Bismark/v0.24.2 cadence/v2024
CARLA/v0.9.15 crystal23/v1.0.1
CESM/v2.1.4 cst/2023
CONVERGE-IntelMPI/3.0.24 examl/3.0.21
CONVERGE-IntelMPI/3.0.8 fds/6.7.5
CONVERGE-IntelMPI/cvg/3.0.24 flo/1.1.0
CONVERGE-IntelMPI/mpi/3.0.24 gaussian/16_c02_avx2
CONVERGE-IntelMPI/udf/3.0.24 gurobi/10.0.1
CONVERGE-IntelMPI/utilities/3.0.24 idl/8.4
CONVERGE-OMPI/3.0.8 iqtree/1.6.11
CONVERGE-OMPI/cvg/3.0.8 liftOverPlink/dev
CONVERGE-OMPI/mpi/3.0.8 matlab/R2024a
CONVERGE-OMPI/udf/3.0.8 metashape/2.0.1
CONVERGE-OMPI/utilities/3.0.8 modeltest/0.1.5
CONVERGE/3.1.12 multistrand/2.1.3
Chaste/2017.1 mumax/3.10
Ferret/7.5.0 nextflow/24.04.4
GAMS/48.2.0 ollama/0.1.32
GEMMA/0.98.1 openCARP/0f7d8000
HYSPLIT/5.3.0 openEMS/0.0.35
LDBlockShow/90679e1 orca/6.0.1-openmpi-4.1.6
Mathematica/12.0.0 ovito/2.9.0
MrBayes/3.2.7a panoply/5.2.3
NAMD/3.0b6 plink/v1.9
NBO/7.0 pycharm/2021.1.3
NUPACK/3.2.2 raxml-ng/0.9.0
OpenCilk/9.0.1 reframe/4.6.1
OpenSees/3.1.0 rstudio/2024.04.2-764
OpenVSP/3.40.1 sambada/0.8.1
PartitionFinder/2.1.1 spades/4.0.0
PatternCNV/1.0 splitstree/3
QChem/6.1 subread/2.0.3
R/3.6.3-intel synopsys/v2023.12
REACTA/0.9.7 thermo_pw/1.1.1
STAR-CCM/17.02.008-R8 tilde/1.1.3
STAR-CD/4.30.029 turbomole/7.8
STEMSim/R643 unity/6000.0.22f1
STRUCTURE/v2.3.4 vapor/3.9.3
WPS/4.1.2-intel vcftools/v0.1.16
WRF/4.1.2-intel vmd/1.9.4
abaqus/2024 vscode/1.94.0
admixture/1.3.0 xcrysden/1.6.2
amber/24 ximmer/9d165ea
ansa/v24.1.2 xtb/6.3.3
ansys/2024R1
------------------------ /mnt/apps/custom/modulefiles -------------------------
Blender/v3.3.16 einstein-toolkit/Kowalevski
CloudCompare/2.14.alpha gffcompare/ebef7e0
DL_MESO/2019 harp/1.23
DualSPHysics/5.4.323 jblas/v1.2.4
Garfield++/4.0 lammps/20220623-ampere
MESA/r15140 libgd/2.3.3-4hjt45p
ProDiMo/2.0.0 libradtran/2.0.4
castep/20.11 lositan/4ed774c
centos8 morphographx/2.0
cloudy/c23.01 obitools4/2024.11.13
coda/2.25.2 platanus/v1.2.4
ecaccess-webtoolkit/6.3.1 texlive/2024
-------------------- /usr/share/lmod/lmod/modulefiles/Core --------------------
lmod settarg
Where:
L: Module is loaded
If the avail list is too long consider trying:
"module --default avail" or "ml -d av" to just list the default modules.
"module overview" or "ml ov" to display the number of modules for each name.
Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching
any of the "keys".
Available software (prebuilt or custom build)
----------------------- /mnt/apps/prebuilt/modulefiles ------------------------
ASReml/4.1.0 bayescan/2.1
AnsysEM/2024R1 btllib/1.7.3
Bismark/v0.24.2 cadence/v2024
CARLA/v0.9.15 crystal23/v1.0.1
CESM/v2.1.4 cst/2023
CONVERGE-IntelMPI/3.0.24 examl/3.0.21
CONVERGE-IntelMPI/3.0.8 fds/6.7.5
CONVERGE-IntelMPI/cvg/3.0.24 flo/1.1.0
CONVERGE-IntelMPI/mpi/3.0.24 gaussian/16_c02_avx2
CONVERGE-IntelMPI/udf/3.0.24 gurobi/10.0.1
CONVERGE-IntelMPI/utilities/3.0.24 idl/8.4
CONVERGE-OMPI/3.0.8 iqtree/1.6.11
CONVERGE-OMPI/cvg/3.0.8 liftOverPlink/dev
CONVERGE-OMPI/mpi/3.0.8 matlab/R2024a
CONVERGE-OMPI/udf/3.0.8 metashape/2.0.1
CONVERGE-OMPI/utilities/3.0.8 modeltest/0.1.5
CONVERGE/3.1.12 multistrand/2.1.3
Chaste/2017.1 mumax/3.10
Ferret/7.5.0 nextflow/24.04.4
GAMS/48.2.0 ollama/0.1.32
GEMMA/0.98.1 openCARP/0f7d8000
HYSPLIT/5.3.0 openEMS/0.0.35
LDBlockShow/90679e1 orca/6.0.1-openmpi-4.1.6
Mathematica/12.0.0 ovito/2.9.0
MrBayes/3.2.7a panoply/5.2.3
NAMD/3.0b6 plink/v1.9
NBO/7.0 pycharm/2021.1.3
NUPACK/3.2.2 raxml-ng/0.9.0
OpenCilk/9.0.1 reframe/4.6.1
OpenSees/3.1.0 rstudio/2024.04.2-764
OpenVSP/3.40.1 sambada/0.8.1
PartitionFinder/2.1.1 spades/4.0.0
PatternCNV/1.0 splitstree/3
QChem/6.1 subread/2.0.3
R/3.6.3-intel synopsys/v2023.12
REACTA/0.9.7 thermo_pw/1.1.1
STAR-CCM/17.02.008-R8 tilde/1.1.3
STAR-CD/4.30.029 turbomole/7.8
STEMSim/R643 unity/6000.0.22f1
STRUCTURE/v2.3.4 vapor/3.9.3
WPS/4.1.2-intel vcftools/v0.1.16
WRF/4.1.2-intel vmd/1.9.4
abaqus/2024 vscode/1.94.0
admixture/1.3.0 xcrysden/1.6.2
amber/24 ximmer/9d165ea
ansa/v24.1.2 xtb/6.3.3
ansys/2024R1
------------------------ /mnt/apps/custom/modulefiles -------------------------
Blender/v3.3.16 gffcompare/ebef7e0
CloudCompare/2.14.alpha harp/1.23
DL_MESO/2019 intel/2021.5.0-12.2.0
DualSPHysics/5.4.323 jblas/v1.2.4
Garfield++/4.0 lammps/20220623-ampere
MESA/r15140 libgd/2.3.3-4hjt45p
ProDiMo/2.0.0 libradtran/2.0.4
castep/20.11 lositan/4ed774c
centos8 morphographx/2.0
cloudy/c23.01 obitools4/2024.11.13
coda/2.25.2 openblas/v0.3.24
ecaccess-webtoolkit/6.3.1 platanus/v1.2.4
einstein-toolkit/Kowalevski texlive/2024
If the avail list is too long consider trying:
"module --default avail" or "ml -d av" to just list the default modules.
"module overview" or "ml ov" to display the number of modules for each name.
Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching
any of the "keys".
Intro to using modulefiles¶
The software/applications are available when using modulefiles. For example when we login to the cluster, the version of the gcc compiler available is 11.4.1-3:
# gcc --version
gcc (GCC) 11.4.1 20150623 (Red Hat 11.4.1-3)
Copyright (C) 2015 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
This version is called "system version".
To make another version available in the UI (on the command line) we need to load the corresponding modulefile first, e.g. to use version `13.2.0':
# module load gcc/13.2.0
# gcc --version
gcc (Spack GCC) 13.2.0
Copyright (C) 2019 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
We note that in the output of gcc --version the version is 9.2.0 and not the system version (4.8.5). If we want to see which versions of the gcc package/software are available we can run module avail gcc, e.g:
# module avail gcc
------------ /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core -------------
gcc/5.5.0 gcc/6.4.0 gcc/7.3.0 gcc/8.2.0 (D) gcc/9.2.0
Where:
D: Default Module
Use "module spider" to find all possible modules.
Use "module keyword key1 key2 ..." to search for all possible modules matching any of the
"keys".
In the output of the last command we notice that the default version is 8.2.0, so if we call module load gcc without specifying a particular version, 8.2.0 will be activated as shown and in the box below:
# module load gcc
# gcc --version
gcc (GCC) 8.2.0
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
Modulefiles structure¶
Most software packages that are centrally installed on the cluster are compiled with one or more compilers (e.g., gcc and intel). Similarly (and one level down) a parallel application may have been compiled using more than one mpi implementation (e.g. and with openmpi and with intel-mpi).
Consequently the structure of modulefiles available is hierarchical, meaning the libraries or applications that have been compiled with a given compiler are shown as available with module avail only after we have loaded the given compiler into the environment.
The compilers are at the first level of the hierarchy. After the login the only softwares available for use are:
# module avail
Terminal Output
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core ------
gcc/5.5.0 gcc/10.2.0
gcc/6.4.0 intel-oneapi-compilers/2022.0.2-sygdcrc
gcc/7.3.0 intel/19.0.5 (D)
gcc/8.2.0 (D) intel/20.0.2
gcc/9.2.0
gcc/9.4.0-eewq4j6
The second level is where most applications are located. To see them as available modulefiles we first need to load a compiler, e.g.:
# module load intel/19.0.5
# module avail
Terminal Output
- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/intel/19.0.5 --
autoconf/2.69 hwloc/1.11.9 openmpi/3.1.2
automake/1.16.1 hwloc/1.11.11 (D) openmpi/3.1.3
axel/2.16.1 jasper/1.900.1 openmpi/3.1.4 (D)
bison/3.4.2 libjpeg-turbo/1.5.90 openssl/1.0.2o
boost/1.70.0 libpng/1.6.34 openssl/1.1.1d (D)
bzip2/1.0.8 libpng/1.6.37 (D) perl/5.26.2
cgal/4.13 libtool/2.4.6 perl/5.30.0 (D)
cmake/3.9.6 libxml2/2.9.8 pkgconf/1.4.2
cmake/3.12.3 libxml2/2.9.9 (D) pkgconf/1.6.3 (D)
cmake/3.15.4 (D) m4/1.4.18 python/3.3.5
curl/7.63.0 miniconda2/4.5.11 readline/7.0
diffutils/3.6 miniconda3/4.5.11 readline/8.0 (D)
diffutils/3.7 (D) mpfr/4.0.2 slurm/17-11-8-1
expat/2.2.9 nasm/2.13.03 sqlite/3.30.1
fontsproto/2.1.3 ncurses/6.1 tar/1.32
gmake/4.2.1 numactl/2.0.11 xz/5.2.4
gmp/6.1.2 numactl/2.0.12 (D) zlib/1.2.11
help2man/1.47.11 openblas/0.3.7
----- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core ------
gcc/5.5.0 gcc/10.2.0
gcc/6.4.0 intel-oneapi-compilers/2022.0.2-sygdcrc
gcc/7.3.0 intel/19.0.5 (D)
gcc/8.2.0 (D) intel/20.0.2
gcc/9.2.0
gcc/9.4.0-eewq4j6
Some parallel applications (using one mpi library) are located at the third level, e.g. the libraries hdf5:
# module load openmpi/3.1.3
# module avail
Terminal Output
------ /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/openmpi/3.1.3-q4h4qu4/intel/19.0.5.281 -------
hdf5/1.8.19 hdf5/1.10.4 (D) netcdf-fortran/4.4.4 netcdf/4.6.1 regcm/4.4.5.11 regcm/4.7.0 (D)
------------------- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/intel/19.0.5 --------------------
autoconf/2.69 fontsproto/2.1.3 miniconda2/4.5.11 perl/5.30.0 (D)
automake/1.16.1 gmake/4.2.1 miniconda3/4.5.11 pkgconf/1.4.2
axel/2.16.1 gmp/6.1.2 mpfr/4.0.2 pkgconf/1.6.3 (D)
bison/3.4.2 help2man/1.47.11 nasm/2.13.03 python/3.3.5
boost/1.70.0 hwloc/1.11.9 ncurses/6.1 readline/7.0
bzip2/1.0.8 hwloc/1.11.11 (D) numactl/2.0.11 readline/8.0 (D)
cgal/4.13 jasper/1.900.1 numactl/2.0.12 (D) slurm/17-11-8-1
cmake/3.9.6 libjpeg-turbo/1.5.90 openblas/0.3.7 sqlite/3.30.1
cmake/3.12.3 libpng/1.6.34 openmpi/3.1.2 tar/1.32
cmake/3.15.4 (D) libpng/1.6.37 (D) openmpi/3.1.3 (L) xz/5.2.4
curl/7.63.0 libtool/2.4.6 openmpi/3.1.4 (D) zlib/1.2.11
diffutils/3.6 libxml2/2.9.8 openssl/1.0.2o
diffutils/3.7 (D) libxml2/2.9.9 (D) openssl/1.1.1d (D)
expat/2.2.9 m4/1.4.18 perl/5.26.2
----------------------- /mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/Core ------------------------
gcc/5.5.0 gcc/6.4.0 gcc/7.3.0 gcc/8.2.0 (D) gcc/9.2.0 intel/19.0.5 (L)
Using spider¶
To see which modulefiles we need to load first in order to make an application available in the UI we can use the command module spider. E.g. to see which options are available to "load" the fftw (Fastest Fourier Transform in the West) library we can run the following command:
# module spider fftw/3.3.8
Terminal Output
-------------------------------------------------------------------------------------------
fftw: fftw/3.3.8
-------------------------------------------------------------------------------------------
You will need to load all module(s) on any one of the lines below before the "fftw/3.3.8" m
odule is available to load.
gcc/6.4.0 openmpi/3.1.3
gcc/7.3.0 openmpi/3.1.3
gcc/8.2.0 openmpi/3.1.3
gcc/9.2.0 openmpi/3.1.4
Help:
FFTW is a C subroutine library for computing the discrete Fourier
transform (DFT) in one or more dimensions, of arbitrary input size, and
of both real and complex data (as well as of even/odd data, i.e. the
discrete cosine/sine transforms or DCT/DST). We believe that FFTW, which
is free software, should become the FFT library of choice for most
applications.
We see that the configured library (fftw/3.3.8) is installed four times and to bring it into the UI we need to first load a combination of gcc and openmpi, e.g:
# module load gcc/9.2.0 openmpi/3.1.4
# module load fftw/3.3.8
We can also use the command module spider and locate the available versions of a module.
# module spider python
Terminal Output
-----------------------------------------------------------------
python:
-----------------------------------------------------------------
Versions:
python/3.7.0
python/3.7.4
python/3.7.6
python/3.7.7
python/3.7.12-f7pslve
python/3.7.12-jzuctbb
python/3.7.12-4tsv54n
python/3.7.12-7a464zq
python/3.8.6-a23pddp
python/3.8.6
python/3.9.10-a7dicda
python/3.9.10-b7gg4hu
python/3.9.10-fb7xssq
python/3.9.10-ilba5wi
python/3.9.10-mru6vyi
python/3.9.10-qujth4g
python/3.9.10-qz3dwle
python/3.9.10-ve54vyn
python/3.10.8-cidwh6y
python/3.10.8-d22ngxi
python/3.10.8-uyv7glf
python/3.10.8-vpowkao
python/3.10.10-abxdifo
python/3.10.10-liiyhzc
python/3.10.10-lufnu2b
python/3.10.10-tuelrzc
python/3.11.6-wkl2rma
Other possible modules matches:
py-gitpython py-ipython py-ipython-genutils py-meson-python py-python-dateutil py-scientificpython py-wxpython
--------------------------------------------------------------------
To find other possible module matches execute:
$ module -r spider '.*python.*'
-------------------------------------------------------------------
For detailed information about a specific "python" package (including how to load the modules) use the module's full name.
Note that names that have a trailing (E) are extensions provided by other modules.
For example:
$ module spider python/3.11.6-wkl2rma
-------------------------------------------------------------------
Next, to see how to use the module of a specific version, we use module spider as follows:
# module spider python/3.11.6-wkl2rma
Terminal Output
---------------------------------------------------------------------
python: python/3.11.6-wkl2rma
--------------------------------------------------------------------
You will need to load all module(s) on any one of the lines below before the "python/3.11.6-wkl2rma" module is available to load.
gcc/13.2.0-nbog6z2
Help:
The Python programming language.
So, to run the python/3.11.6 module we use the following command:
# module load gcc/13.2.0-nbog6z2 python/3.11.6-wkl2rma
Module show¶
To see how an environment is configured by a module we use the command module show.
For example:
# module load gcc/12.2.0
# module show py-scipy
Terminal Output
---------------------------------------------------------------------------------------------------------
/mnt/apps/aristotle/site/share/spack/lmod/linux-centos7-x86_64/gcc/12.2.0/py-scipy/1.11.3-2zqskki.lua:
--------------------------------------------------------------------------------------------------------
whatis("Name : py-scipy")
whatis("Version : 1.11.3")
whatis("Target : x86_64")
whatis("Short description : Fundamental algorithms for scientific computing in Python.")
help([[Name : py-scipy]])
help([[Version: 1.11.3]])
help([[Target : x86_64]])
]])
help([[Fundamental algorithms for scientific computing in Python.]])
depends_on("openblas/0.3.23-buakiei")
depends_on("py-numpy/1.24.3-lyes72v")
depends_on("py-pybind11/2.11.0-vhmpdq5")
depends_on("python/3.10.10-abxdifo")
conflict("py-scipy")
prepend_path("LD_LIBRARY_PATH","/mnt/apps/aristotle/site/linux-centos7-x86_64/gcc-12.2.0/py-scipy-1.11.3-2zqskki5skt6mxztgx5sb7n6qef7bcnv/lib")
prepend_path("CMAKE_PREFIX_PATH","/mnt/apps/aristotle/site/linux-centos7-x86_64/gcc-12.2.0/py-scipy-1.11.3-2zqskki5skt6mxztgx5sb7n6qef7bcnv/.")
prepend_path("PYTHONPATH","/mnt/apps/aristotle/site/linux-centos7-x86_64/gcc-12.2.0/py-scipy-1.11.3-2zqskki5skt6mxztgx5sb7n6qef7bcnv/lib/python3.10/site-packages")
setenv("PY_SCIPY_ROOT","/mnt/apps/aristotle/site/linux-centos7-x86_64/gcc-12.2.0/py-scipy-1.11.3-2zqskki5skt6mxztgx5sb7n6qef7bcnv")