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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



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