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 Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 4 April 2012 | Default: 18 April 2012 | Default: 16 May 2012 |
xt-libsci | 11.0.03 | 11.0.04 | 11.0.05 | 11.0.06 | 11.0.06 |
petsc | 3.1.09 | 3.1.09 | 3.1.09 | 3.1.09 | 3.1.09 |
acml | 4.4.0 | 4.4.0 | 4.4.0 | 5.1.0 | 5.1.0 |
fftw | 3.3.0.0 | 3.3.0.0 | 3.3.0.0 | 3.3.0.0 | 3.3.0.0 |
trilinos | 10.6.4.0 | 10.8.3.0 | 10.8.3.0 | 10.8.3.0 | 10.8.3.0 |
tpsl | 1.1.01 | 1.2.00 | 1.2.00 | 1.2.00 | 1.2.00 |
libfast | 1.0.9 | 1.0.9 | 1.0.9 | 1.0.9 | 1.0.9 |
hdf5 | 1.8.6 | 1.8.7 | 1.8.7 | 1.8.7 | 1.8.7 |
netcdf | 4.1.2 | 4.1.3 | 4.1.3 | 4.1.3 | 4.1.3 |
netcdf-hdf5parallel | 4.1.2 | 4.1.3 | 4.1.3 | 4.1.3 | 4.1.3 |
Communication Libraries
Module Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 4 April 2012 | Default: 18 April 2012 | Default: 16 May 2012 |
xt-mpich2 | 5.3.4 | 5.4.2 | 5.4.3 | 5.4.4 | 5.4.5 |
xt-shmem | 5.3.4 | 5.4.2 | 5.4.3 | 5.4.4 | 5.4.5 |
ga | 4.3.5 | 5.0.2 | 5.0.2 | 5.0.2 | 5.0.2 |
ntk | 1.3.0 | 1.5.0 | 1.5.0 | 1.5.0 | 1.5.0 |
onesided | 1.3.0 | 1.5.0 | 1.5.0 | 1.5.0 | 1.5.0 |
mrnet | 3.0.0 | 3.0.0 | 3.0.0 | 3.0.0 | 3.0.0 |
Performance Analysis and Debugging
Module Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 4 April 2012 | Default: 18 April 2012 | Default: 16 May 2012 |
xt-totalview | 8.9.2 | 8.9.2 | 8.9.2 | 8.9.2 | 8.9.2 |
perftools | 5.2.3 | 5.3.0 | 5.3.0 | 5.3.1 | 5.3.2 |
papi | 4.1.3 | 4.2.0 | 4.2.0 | 4.3.0 | 4.3.0.1 |
atp | 1.3.0 | 1.3.0 | 1.3.0 | 1.4.3 | 1.4.3 |
stat | 1.1.3 | 1.2.1.1 | 1.2.1.1 | 1.2.1.1 | 1.2.1.1 |
xt-lgdb | 1.4 | 1.4 | 1.4 | 1.4 | 1.4 |
Compilers
Module Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 4 April 2012 | Default: 18 April 2012 | Default: 16 May 2012 |
java | jdk1.6.0_24 | jdk1.6.0_24 | jdk1.7.0_02 | jdk1.7.0_03 | jdk1.7.0_03 |
pgi | 11.9.0 | 11.10.0 | 12.1.0 | 12.2.0 | 12.3.0 |
gcc | 4.6.1 | 4.6.2 | 4.6.2 | 4.6.2 | 4.6.3 |
cce | 7.4.4 | 8.0.1 | 8.0.2 | 8.0.3 | 8.0.4 |
chapel | 1.4.0 | 1.4.0 | 1.4.0 | 1.4.0 | 1.4.0 |
System modules
Module Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 4 April 2012 | Default: 18 April 2012 | Default: 16 May 2012 |
xt-asyncpe | 5.03 | 5.06 | 5.07 | 5.08 | 5.09 |
pmi | 2.1.4-1.0000.8596 .8.9.gem | 3.0.0-1.0000.8661 .28.2807.gem | 3.0.0-1.0000.8661 .28.2807.gem | 3.0.0-1.0000.8661 .28.2807.gem | 3.0.1-1.0000.8917 .33.1.gem |
Third-Party Software Module Versions (and history)
Module Name | Default: 7 December 2011 | Default: 7 March 2012 | Default: 18 April 2012 | Default: 2 May 2012 |
amber | 11 | 11 | 11 | 11 |
casino | 2.6 | 2.6 | 2.6 | 2.6 |
castep | 5.5.2 | 6.0 | 6.0 | 6.0.1 |
centori | December2010 | December2010 | December2010 | December2010 |
cp2k | 2.3.15 | 2.3.15 | 2.3.15 | 2.3.15 |
cpmd | 3.13.2 | 3.13.2 | 3.13.2 | 3.13.2 |
dalton | 2.0 | 2.0 | 2.0 | 2.0 |
dlpoly | 4.02 | 4.02 | 4.02 | 4.02 |
ebl | 4.0 | 4.0 | 4.0 | 4.0 |
gamess-us | 01102010 | 01102010 | 01102010 | 01102010 |
gromacs | 4.5.5 | 4.5.5 | 4.5.5 | 4.5.5 |
gs2 | r1480_interlagos | r1480_interlagos | r1480_interlagos | r1480_interlagos |
helium | helium_cle4.0 | helium_cle4.0 | helium_cle4.0 | helium_cle4.0 |
lammps | lammps-25Sep11 | lammps-25Sep11 | lammps-28Mar12 | lammps-28Mar12 |
namd | 2.7 | 2.7 | 2.9 | 2.9 |
nemo | 2.3 | 2.3 | 2.3 | 2.3 |
nwchem | 6.0 | 6.1 | 6.1 | 6.1 |
parafem | r40 | r40 | r40 | r40 |
R | 2.14.0 | 2.14.0 | 2.14.0 | 2.14.0 |
siesta | 2.0.2 | 3.1 | 3.1 | 3.1 |
vasp | 4.6 | 4.6 | 4.6 | 4.6 |
vasp5 | 5.2.12 | 5.2.12 | 5.2.12 | 5.2.12 |
Module deletions