Informática Aplicada a la Investigación Rotating Header Image

Scientific software

 • Quantum Mechanics

 • BioChemistry / Molecular Mechanics

 • Mathematics

 • Genetics

 • Visualization

 • Other Software

Quantum Mechanics

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
Abinit ok ok
ADF 2017.110 2017.110 2017.110
BigDFT ok ok
Casino 2.4 ok
Dirac 08 ok
Espresso ok ok
Gamess Jan 2009 ok
Gaussian 03 & 09 ok ok ok
Jaguar ok ok ok
MIKA .81 ok
NBO 5 ok
NWChem 6.3 ok ok
Orca 3.03  ok ok
PSI4 ok ok
Qbox ok ok
Qsite  ok ok ok
Siesta 2.0.1 ok
Siesta 3.0 ok
TB-LMTO 4.6 ok
Terachem ok
Turbomole 7.0  ok ok
VASP ok ok ok
Wien2K ok ok
Yambo 3.2.2 ok ok

BioChemistry / Molecular Mechanics

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
Amber ok ok
DL_POLY ok ok
Gromacs ok ok
Gulp 4.0 ok
LAMMPS ok
Macromodel ok ok ok
NAMD 2.6 ok
Towhee 7.0.2   ok

Mathematics

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
Coin-or ok ok
CPLEX ok ok
Grace 5.1.19 ok ok
Mathematica  8.0 ok ok
Matlab ok ok
Matplotlib ok
Octave 3.2.3 ok
Octave 3.2.4 ok
R, RCommander and RStudio 3.3.3 3.3.2 2.7.0
Scilab 5.1.1 ok
Scilab 5.2.2 ok

Genetics

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
ABySS ok
BEAST ok ok
BLAST ok
Blast2Go ok
Clean_reads ok
CLUMPP ok
Cufflinks ok
Genepop ok
IDBA-UD ok ok
MetAMOS ok
mpiBLAST ok
QIIME ok
SPAdes ok ok
Structure ok
TopHat ok
Trinity ok
USEARCH ok
Velvet ok

Visualization

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
Gaussview ok
Maestro ok ok
Molden ok ok ok
NX client ok
P4VASP ok
x2Go ok ok
XCrysDen ok
Xmakemol  ok ok
VMD ok ok

Other Software

Katramila
(xeon,rh7,xeon20)
Guinness
(xeon,oxeon)
Kalk2017
(xeon,rh7,xeon28)
GAP 4.4 ok
Gretl ok
HTK 3.4.1
NCL-NCAR ok
OOMMF  ok ok
PHENIX ok
SCIPION ok
STAR-CCM+ ok ok ok
WRF 3.1 ok

 

Comments are closed.