The HECToR Service is now closed and has been superceded by ARCHER.

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

Software Versions (Phase 3: Part 1)

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)

Scientific Libraries

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 4 April 2012Default: 18 April 2012Default: 16 May 2012
xt-libsci11.0.0311.0.0411.0.0511.0.0611.0.06
petsc3.1.093.1.093.1.093.1.093.1.09
acml4.4.04.4.04.4.05.1.05.1.0
fftw3.3.0.03.3.0.03.3.0.03.3.0.03.3.0.0
trilinos10.6.4.010.8.3.010.8.3.010.8.3.010.8.3.0
tpsl1.1.011.2.001.2.001.2.001.2.00
libfast1.0.91.0.91.0.91.0.91.0.9
hdf51.8.61.8.71.8.71.8.71.8.7
netcdf4.1.24.1.34.1.34.1.34.1.3
netcdf-hdf5parallel4.1.24.1.34.1.34.1.34.1.3

Communication Libraries

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 4 April 2012Default: 18 April 2012Default: 16 May 2012
xt-mpich25.3.45.4.25.4.35.4.45.4.5
xt-shmem5.3.45.4.25.4.35.4.45.4.5
ga4.3.55.0.25.0.25.0.25.0.2
ntk1.3.01.5.01.5.01.5.01.5.0
onesided1.3.01.5.01.5.01.5.01.5.0
mrnet3.0.03.0.03.0.03.0.03.0.0

Performance Analysis and Debugging

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 4 April 2012Default: 18 April 2012Default: 16 May 2012
xt-totalview8.9.28.9.28.9.28.9.28.9.2
perftools5.2.35.3.05.3.05.3.15.3.2
papi4.1.34.2.04.2.04.3.04.3.0.1
atp1.3.01.3.01.3.01.4.31.4.3
stat1.1.31.2.1.11.2.1.11.2.1.11.2.1.1
xt-lgdb1.41.41.41.41.4

Compilers

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 4 April 2012Default: 18 April 2012Default: 16 May 2012
javajdk1.6.0_24jdk1.6.0_24jdk1.7.0_02jdk1.7.0_03jdk1.7.0_03
pgi11.9.011.10.012.1.012.2.012.3.0
gcc4.6.14.6.24.6.24.6.24.6.3
cce7.4.48.0.18.0.28.0.38.0.4
chapel1.4.01.4.01.4.01.4.01.4.0

System modules

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 4 April 2012Default: 18 April 2012Default: 16 May 2012
xt-asyncpe5.035.065.075.085.09
pmi2.1.4-1.0000.8596 .8.9.gem3.0.0-1.0000.8661 .28.2807.gem3.0.0-1.0000.8661 .28.2807.gem3.0.0-1.0000.8661 .28.2807.gem3.0.1-1.0000.8917 .33.1.gem

Third-Party Software Module Versions (and history)

Module NameDefault: 7 December 2011Default: 7 March 2012Default: 18 April 2012Default: 2 May 2012
amber11111111
casino2.62.62.62.6
castep5.5.26.06.06.0.1
centoriDecember2010December2010December2010December2010
cp2k2.3.152.3.152.3.152.3.15
cpmd3.13.23.13.23.13.23.13.2
dalton2.02.02.02.0
dlpoly4.024.024.024.02
ebl4.04.04.04.0
gamess-us01102010011020100110201001102010
gromacs4.5.54.5.54.5.54.5.5
gs2r1480_interlagosr1480_interlagosr1480_interlagosr1480_interlagos
heliumhelium_cle4.0helium_cle4.0helium_cle4.0helium_cle4.0
lammpslammps-25Sep11lammps-25Sep11lammps-28Mar12lammps-28Mar12
namd2.72.72.92.9
nemo2.32.32.32.3
nwchem6.06.16.16.1
parafemr40r40r40r40
R2.14.02.14.02.14.02.14.0
siesta2.0.23.13.13.1
vasp4.64.64.64.6
vasp55.2.125.2.125.2.125.2.12

Module deletions