This page provides information on the versions of various software on the HECToR system.

Software Versions

For a brief introduction to the software available on the systems please see the software page in the "How can HECToR help me" section of the website. More detailed information on running and using centrally-installed, third-party scientific codes on HECToR can be found on the software pages of the HECToR website and on the HECToR User Wiki (use your HECToR SAFE details to log in).

Important differences on the Phase 3 system:

  • The Pathscale compiler suite is no longer fully supported.
  • The default compiler suite will be PrgEnv-cray.
  • The xt-mpt module is depreciated - it is replaced by two modules: xt-mpich2 and xt-shmem.
  • xt-mpich2 will be loaded by default.
  • xtpe-interlagos will be loaded by default for all users.

System Module Versions (and history)

Tools and Libraries

Module NameDefault: 7 December 2011
xt-asyncpe5.03
xt-mpich25.3.4
xt-shmem5.3.4
xt-libsci11.0.03
acml4.4.0
fftw3.3.0.0
hdf51.8.6
netcdf4.1.2
netcdf-hdf5parallel4.1.2
petsc3.1.09
xt-totalview8.9.2
ga4.3.5
ntk1.3.0
onesided1.3.0
perftools5.2.3
papi4.1.3
atp1.3.0
stat1.1.3
libfast1.0.9
mrnet3.0.0
trilinos10.6.4.0
tpsl1.1.01
xt-lgdb1.4

Compilers

Module NameDefault: 7 December 2011
javajdk1.6.0_24
pgi11.9.0
gcc4.6.1
cce7.4.4
chapel1.4.0

Third-Party Software Module Versions (and history)

Module NameDefault: 7 December 2011
amber11
casino2.6
castep5.5.2
centoriDecember2010
cp2k2.2.137
cpmd3.13.2
dalton2.0
dlpoly4.01
ebl4.0
gamess-us01102010
gs2r1480_pgi10
h2moljune10
heliumjune10
lammpslammps-19Nov10
namd2.7
nemo2.3
nwchem6.0
parafemr40
pdns3djune10
prmatjune10
R2.12.0
siesta2.0.2
vasp4.6
vasp55.2.12

Module deletions

Software versions on previous HECToR phases