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.