Updated 2021-03-30

Software Questions

What software do we have campus licenses for?

  • Georgia Tech maintains site license for many software packages, many of which are already installed on PACE managed clusters. Other HPC related software can be installed on a per-request basis.
  • All software and systems must be used in compliance with the Georgia Tech Cyber Security Policies.
  • The source of GT licensed software can be found at this link.

How can I make my code more efficient?

  • Here are some common things to start with:
    • Compile your code with optimizations: Using -O3 compiler optimization would provide significant speedup.
    • Use numerical libraries: PACE clusters offer a number of numerical libraries for better performance and consistency. These libraries include fast and community-tested implementations for a large variety of computations, such as dense/sparse linear algebra, fourier transform, data processing, multimedia, and so on.
    • Use the scratch storage: If your code stores or manipulates large files, you may see benefit by utilizing the high-performance scratch storage.
    • Use GPUs: PACE clusters include nodes with GPUs. Please use them if you believe your job would benefit from it.

What software is available on the Pace clusters?

Note

You can see a full list of software available for the node you are currently on by running the module avail command.

RHEL7 Software
  • The following are available on nodes that run Red Hat Enterprise Linux 7 (RHEL7):
    • R/3.5.2
    • abaqus/2018
    • abinit/8.10.2
    • amber/18
    • amber-cuda90/16
    • anaconda2/2019.03
    • anaconda2/5.1.0
    • anaconda2/latest
    • anaconda3/2019.03
    • anaconda3/5.1.0
    • anaconda3/latest
    • ansys/19.1
    • argtable/3.0.3
    • ase/3.17.0
    • autoconf/2.69
    • bedtools2/2.27.1
    • blat/1.04.00
    • blender/2.79
    • boost/1.67.0
    • bowtie/1.2.2
    • bowtie2/2.3.4.1
    • bwa/0.7.17
    • bzip2/1.0.6
    • capnproto-c++/0.7.0
    • cdo/1.9.5
    • cfitsio/3.450
    • cgal/4.13
    • cln/1.3.4
    • clustal-omega/1.2.4
    • cmake/3.11.1
    • comsol/5.3a
    • cuda/10.0
    • cuda/9.0
    • cuda/9.2
    • cudnn/7.1
    • curl/7.61.1
    • curl/7.63.0
    • cutadapt/1.16
    • dakota/6.9.0
    • eigen/3.3.5
    • espresso/6.3
    • fastqc/0.11.7
    • fasttree/2.1.10
    • fastx_toolkit/0.0.13
    • fftw/3.3.8
    • fio/3.12
    • gams/25.1.3
    • gatk/4.1.1.0
    • gaussian/G16
    • gc/7.6.6
    • gc/7.6.8
    • gcc/4.8.5
    • gcc/4.8.5/gcc/9.1.0
    • gcc/7.3.0
    • gcc/8.2.0
    • gcc/9.1.0/autoconf/2.69
    • gcc/9.1.0/automake/1.16.1
    • gcc/9.1.0/bdw-gc/8.0.0
    • gcc/9.1.0/bison/3.0.5
    • gcc/9.1.0/boost/1.70.0
    • gcc/9.1.0/bzip2/1.0.6
    • gcc/9.1.0/cgal/4.13
    • gcc/9.1.0/cmake/3.14.4
    • gcc/9.1.0/diffutils/3.7
    • gcc/9.1.0/findutils/4.6.0
    • gcc/9.1.0/flex/2.6.4
    • gcc/9.1.0/gdbm/1.18.1
    • gcc/9.1.0/gettext/0.19.8.1
    • gcc/9.1.0/gmp/6.1.2
    • gcc/9.1.0/gnutls/3.6.8
    • gcc/9.1.0/guile/2.2.0
    • gcc/9.1.0/help2man/1.47.8
    • gcc/9.1.0/intel/19.0.3
    • gcc/9.1.0/libatomic-ops/7.6.6
    • gcc/9.1.0/libffi/3.2.1
    • gcc/9.1.0/libiconv/1.15
    • gcc/9.1.0/libnl/3.3.0
    • gcc/9.1.0/libpciaccess/0.13.5
    • gcc/9.1.0/libsigsegv/2.11
    • gcc/9.1.0/libtool/2.4.6
    • gcc/9.1.0/libunistring/0.9.10
    • gcc/9.1.0/libxml2/2.9.9
    • gcc/9.1.0/m4/1.4.18
    • gcc/9.1.0/mpfr/4.0.1
    • gcc/9.1.0/mvapich2/2.3.1
    • gcc/9.1.0/ncurses/6.1
    • gcc/9.1.0/nettle/3.4.1
    • gcc/9.1.0/openssl/1.0.2k-fips
    • gcc/9.1.0/perl/5.26.2
    • gcc/9.1.0/pkgconf/1.6.0
    • gcc/9.1.0/rdma-core/20
    • gcc/9.1.0/readline/7.0
    • gcc/9.1.0/tar/1.31
    • gcc/9.1.0/texinfo/6.5
    • gcc/9.1.0/util-macros/1.19.1
    • gcc/9.1.0/xz/5.2.4
    • gcc/9.1.0/zlib/1.2.11
    • gcc-compatibility/8.2.0
    • geant/4.10.04
    • gflags/2.2.1
    • ginac/1.7.4
    • git-lfs/2.7.1
    • glog/0.3.5
    • gmp/6.1.2
    • gnuparallel/20180922
    • gnuplot/5.2.4
    • gromacs/2018.4
    • gsl/2.4
    • guile/2.2.4
    • gurobi/8.1.0
    • harminv/1.4.1
    • hdf5/1.10.3
    • hdf5/1.8.20
    • hmmer/3.2.1
    • hwloc/1.11.9
    • idba/1.1.3
    • imagemagick/7.0.8
    • intel/17.0
    • intel/18.0
    • intel/19.0
    • intel/19.0.3/autoconf/2.69
    • intel/19.0.3/automake/1.16.1
    • intel/19.0.3/bison/3.0.5
    • intel/19.0.3/bzip2/1.0.6
    • intel/19.0.3/diffutils/3.7
    • intel/19.0.3/findutils/4.6.0
    • intel/19.0.3/gdbm/1.18.1
    • intel/19.0.3/gettext/0.19.8.1
    • intel/19.0.3/help2man/1.47.8
    • intel/19.0.3/libiconv/1.15
    • intel/19.0.3/libpciaccess/0.13.5
    • intel/19.0.3/libsigsegv/2.11
    • intel/19.0.3/libtool/2.4.6
    • intel/19.0.3/libxml2/2.9.9
    • intel/19.0.3/m4/1.4.18
    • intel/19.0.3/mvapich2/2.3.1
    • intel/19.0.3/ncurses/6.1
    • intel/19.0.3/perl/5.26.2
    • intel/19.0.3/pkgconf/1.6.0
    • intel/19.0.3/readline/7.0
    • intel/19.0.3/tar/1.31
    • intel/19.0.3/texinfo/6.5
    • intel/19.0.3/util-macros/1.19.1
    • intel/19.0.3/xz/5.2.4
    • intel/19.0.3/zlib/1.2.11
    • java/1.8.0_66
    • java/10.0.1
    • julia/1.0.0
    • keras/2.2.4
    • lammps/22Aug18
    • lapack/3.8.0
    • leslie-spec/21Feb19
    • leveldb/1.20.0
    • libatomic_ops/7.6.4
    • libctl/4.1.1
    • libevent/2.1.8
    • libgtextutils/0.7
    • libjpeg-turbo/2.0.0
    • libpng/1.6.35
    • libsodium/1.0.16
    • libtool/2.4.6
    • libunistring/0.9.10
    • libxc/4.2.3
    • libxsmm/1.9
    • lmdb/0.9.70
    • loader.tcl
    • mafft/7.402
    • maple/2018
    • mash/2.0
    • mathematica/11.2
    • matlab/r2018b
    • maven/3.5.4
    • mkl/2018u1
    • mkl/2019u1
    • mpc/1.0.3
    • mpfr/4.0.1
    • mprime/29.4
    • mummer/3.9.4
    • muscle/3.8.31
    • mvapich2/2.3
    • mvapich2/2.3.1-gkrwl3f/gcc/9.1.0/fftw/3.3.8-mva2
    • mvapich2/2.3.1-gkrwl3f/gcc/9.1.0/openfoam-com/1812-mva2
    • mvapich2/2.3.1-gkrwl3f/gcc/9.1.0/scotch/6.0.6-mva2
    • mvapich2/2.3.1-l6qkito/intel/19.0.3/osu-micro-benchmarks/5.5-mva2
    • nag/MARK_26
    • namd/2.12
    • namd/2.12-ibverbs
    • ncbi_blast/2.7.1
    • ncbi-blast/2.7.1
    • ncl/6.5.0
    • nco/4.6.3
    • nco/4.7.6
    • ncurses/6.1
    • netcdf/4.6.1
    • nodejs/10.7.0
    • nwchem/6.8.1
    • octave/4.4.1
    • openblas/0.2.20
    • openblas/0.3.5
    • openmpi/3.1.3
    • osu-micro-benchmarks/5.4.3
    • paraview/5.5.1
    • pcre/10.32
    • perl/5.26.2
    • perl/5.28.0
    • petsc/3.10.2
    • phonopy/2.0.0
    • picardtools/2.18.7
    • pnetcdf/1.10.0
    • povray/3.7.0.7
    • psi4/1.3
    • pytorch/0.5.0
    • qt/5.11.1
    • readline/6.3
    • README.txt
    • ruby/2.5.1
    • ruby/2.5.3
    • samtools/1.8
    • samtools/1.9
    • sbt/1.1.6
    • scala/2.12.6
    • scala/2.12.7
    • scons/3.0.4
    • scotch/6.0.5a
    • scythe/0.991
    • scythe/0.994_beta
    • snappy/1.1.7
    • spack/0.12.0
    • spark/2.4.0
    • spglib/1.10.3
    • spparks/18May17
    • starccmplus/13.04.010-R8
    • suitesparse/5.3.0
    • sundials/3.1.0
    • swig/3.0.12
    • sync_modules.sh
    • tbb/2018_U2
    • tecplot360/2018r1
    • tensorflow-gpu/1.8.0
    • tophat/2.1.1
    • torch/7
    • trim_galore/0.4.5
    • use.own
    • valgrind/3.13.0
    • vasp/5.4.4
    • vasp-gpu/5.4.4
    • vmd/1.9.4
    • vtk/8.1.1
    • xhpl/2.3
    • zeromq/4.2.3
    • zlib/1.2.11

Are there any software restrictions for the clusters?

  • Software must be compatible with the supported Operating System and properly licensed. HPC-relevant applications on OIT's Software Distribution website are readily available. All software on PACE-adminstered clusters must be installed and used in complicance with the Georgia Tech Cyber Security Policies.
  • Please contact pace-support@oit.gatech.edu if you have any questions regarding specific applications, software licensing, and/or testing.