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Software at CCAST

We make available cluster-wide software via the "modules" tool. This makes it easy for users to setup their environment (interactive or batch) with the specific versions of software they want. Software modules for software available cluster-wide are created and maintained by CCAST Staff. If you need to have software installed cluster-wide, please submit the software request form. Usually, software already installed on the CCAST resources can be updated with no or little cost. New software licenses are to be provided by the requesting user and users are encouraged to contact CCAST for advice before paying for a license for commercial software. Terms and costs vary dramatically.

Users may install software for their own team's use in their /gpfs1/project/<project_name> space, as long as it does not require root permissions. Users may also use the same module tool to create software modules for use by themselves and their collaborators <need URL here>. Please contact support@ccast.ndsu.edu for information if you are interested in creating your own modules.

Users are responsible for obtaining and understanding an appropriate license for use on CCAST resources for all software they request. CCAST will enforce the terms of the license they have obtained.  Software freely available under one of the common open source licenses, is most easily dealt with. Software with a commercial or uncommon license will need to be individually reviewed by the NDSU ITS Software License Office and/or the NDSU General Counsel. This process usually takes ~1-2 weeks before we can begin the installation process at CCAST, so please plan accordingly.

Physics, Chemistry, Material Science

Name

Versions

ABINIT6.12.3
ADF2013.01, 2014.01
AMBER12-gcc, 12-intel, 12-pgi, 14-gcc, 14-intel, 14-pgi
CPMD3.17.1-gcc, 3.17.1-intel, 3.17.1-pgi
CP2K2.5.1-gcc, 2.5.1-intel, 2.5.1-pgi
GAMESS01May2013-R1-gcc, 01May2013-R1-intel, 01May2013-R1-pgi
Gaussian* 09.B.01, 09.C.01, 09.D.01
GROMACS4.6.5-intel, 4.6.7-gcc, 4.6.7-intel, 5.0.1-gcc, 5.0.1-intel
LAMMPS30Sep13, 02Apr14, 15May15
NAMD2.10b1-gcc, 2.10b1-intel, 2.10b1-pgi,  2.9-gcc, 2.9-intel, 2.9-pgi 
NWChem6.1.1-gcc, 6.3-gcc, 6.3-intel, 6.3-pgi, 6.5-intel, 6.5-gcc, 6.5-pgi
OpenBabel2.3.2
TINKER6.1.01
VASP*5.2.12_intel_composer_xe_2013_sp1, 5.3.3_intel_composer_xe_2013, 5.3.3_intel_composer_xe_2013_sp1 
​Quantum ESPRESSO5.0.1-gcc, 5.0.3-gcc, 5.0.3-intel, 5.0.3-pgi, 5.1-gcc, 5.1-pgi, 5.1-intel

Engineering

NameVersions
ANSYS*14.5 
LS-DYNAV971r6.0.0
LS-PrePost4.0
Marc/Mentat2013

Bioinformatics

NameVersions
ABYSS2.02
BLASgcc, intel, pgi (2.2.28)
Bowtie1.1.1-gcc, 2.2.3-gcc
BWA0.7.10-gcc
ClusterW2.1-gcc
ClusterW-mpi0.13-gcc
FSA1.15.9-gcc
HMMER3.1b1-gcc
MAQ0.7.1-gcc
NCBI-BLAST2.2.29-gcc
R3.1.2, 3.3.3, 3.4.0
Ragout2.0
RMAP2.05-gcc
SAMtools1.1-gcc
Trinity2.4.0
TopHat2.0.13-gcc
Velvet1.2.10-gcc

Compilers/Libraries

NameVersions
ATLAS3.10.2-gcc, 3.10.2-pgi
FFTW2.1.5-gcc, 2.1.5-pgi, 2.1.5-intel, 3.3.3-gcc, 3.3.3-pgi, 3.3.4-gcc, 3.3.4-pgi, 3.3.4-intel
GNU Compiler4.7.4, 4.8.3, 4.9.1 
GOTO Blas21.13-gcc, 1.13-pgi
impi4.1.0.024, 4.1.3.049
Intel Compiler2013.1.117, 2013sp1.2.144
LAPACK3.5.0-gcc, 3.5.0-intel, 3.5.0-pgi
MPE21.3.0
mpich-mx1.2.7..7-gcc, 1.2.7..7-pgi, 1.3.1..10-gcc, 1.3.1..10-pgi
mvapich21.9-gcc, 1.9-pgi, 1.9-intel, 2.0-gcc, 2.0-pgi, 2.0-intel
OpenMPI1.6.5-intel, 1.6.5-pgi, 1.6.5-gcc, 1.8.3-intel, 1.8.3-pgi, 1.8.3-gcc, 1.8.4-intel, 1.8.4-pgi, 1.8.4-gcc
PGI Compiler12.10, 13.10, 14.9
ScaLAPACK2.0.2-gcc, 2.0.2-intel, 2.0.2-pgi

Other

NameVersions
CMake2.8.9, 2.8.12.2, 3.0.2
gnuplot4.6.5
JavaJDK-1.8, JRE-1.8
MATLAB*2013a, R2013a
PETSc3.6.3
Perl5.10.1
Python2.7.9, 2.7.12, 3.4.2
Sage7.3-gcc
Valgrind3.8.1, 3.9.0



*Special access request is needed to use this application Please send a request to support@ccast.ndsu.edu


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CCAST Support
Phone: 701.231.5184
Physical/delivery address:  1805 NDSU Research Park Drive/Fargo, ND 58102
Mailing address:  P.O. Box 6050—Dept. 4100/Fargo, ND 58108-6050
Page manager: CCAST

Last Updated: Friday, July 28, 2017 8:31:08 AM
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