This page provides information on the versions of various software on the HECToR system.
Software Versions
- System Module Versions (and history)
- Third-Party Software Module Versions (and history)
- Module Removals (and history)
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).
- Introduction to software on HECToR
- Detailed information on HECToR scientific software
- HECToR User Wiki
Previous default versions of the software on the phase 3 system can be found at:
Scientific Libraries
| Module Name | Default: 16 May 2012 | Default: 5 December 2012 | Default: 20 March 2013 |
|---|---|---|---|
| xt-libsci | 11.0.06 | 12.0.00 | 12.0.00 |
| cray-libsci | N/A | 12.0.00 | 12.0.00 |
| cray-petsc | 3.1.09 (petsc) | 3.3.03 | 3.3.03 |
| cray-petsc-complex | 3.1.09 (petsc-complex) | 3.3.03 | 3.3.03 |
| acml | 5.1.0 | 5.2.0 | 5.2.0 |
| fftw | 3.3.0.0 | 3.3.0.1 | 3.3.0.1 |
| cray-trilinos | 10.8.3.0 (trilinos) | 10.12.1.1 | 10.12.1.1 |
| cray-tpsl | 1.2.00 (tpsl) | 1.3.01 | 1.3.01 |
| libfast | 1.0.9 | 1.0.9 | 1.0.9 |
| hdf5 | 1.8.7 | 1.8.8 | 1.8.8 |
| cray-netcdf | 4.1.3 (netcdf) | 4.2.1.1 | 4.2.1.1 |
| cray-netcdf-hdf5parallel | 4.1.3 (netcdf-hdf5parallel) | 4.2.1.1 | 4.2.1.1 |
| parallel-netcdf | 1.2.0 | 1.3.1 | 1.3.1 |
Communication Libraries
Note: xt-mpich2 and xt-shmem were updated to version 5.6.1 on Wednesday 6 March due to a memory leak bug in xt-mpich2/5.6.0.
| Module Name | Default: 16 May 2012 | Default: 5 December 2012 | Default: 20 March 2013 |
|---|---|---|---|
| cray-mpich2 | 5.4.5 (xt-mpich2) | 5.6.0 | 5.6.1 |
| cray-shmem | 5.4.5 (xt-mpich2) | 5.6.0 | 5.6.1 |
| cray-ga | 5.0.2 (ga) | 5.1.0 | 5.1.0 |
| ntk | 1.5.0 | 1.5.0 | 1.5.0 |
| onesided | 1.5.0 | 1.5.0 | 1.5.0 |
| mrnet | 3.0.0 | 3.0.0 | 3.0.0 |
Performance Analysis and Debugging
| Module Name | Default: 16 May 2012 | Default: 5 December 2012 | Default: 20 March 2013 |
|---|---|---|---|
| xt-totalview | 8.9.2 | 8.9.2 | 8.9.2 |
| totalview | 8.11.0 | ||
| totalview-support | 1.1.2 | 1.1.2 | 1.1.4 |
| perftools | 5.3.2 | 6.0.1 | 6.0.1 |
| papi | 4.3.0.1 | 5.0.1 | 5.0.1 |
| xt-papi | 4.1.2 | 4.3.0 | 4.3.0 |
| atp | 1.4.3 | 1.6.0 | 1.6.0 |
| stat | 1.2.1.1 | 1.2.1.3 | 1.2.1.3 |
| xt-lgdb | 1.4 | 1.5 | 1.5 |
Compilers
| Module Name | Default: 16 May 2012 | Default: 5 December 2012 | Default: 20 March 2013 |
|---|---|---|---|
| java | jdk1.7.0_03 | jdk1.7.0_07 | jdk1.7.0_07 |
| pgi | 12.3.0 | 12.9.0 | 12.10.0 |
| gcc | 4.6.3 | 4.7.2 | 4.7.2 |
| cce | 8.0.4 | 8.1.2 | 8.1.4 |
| chapel | 1.4.0 | 1.6.0 | 1.6.0 |
System modules
| Module Name | Default: 16 May 2012 | Default: 5 December 2012 | Default: 20 March 2013 |
|---|---|---|---|
| xt-asyncpe | 5.09 | 5.16 | 5.17 |
| pmi | 3.0.1-1.0000.8917.33.1.gem | 4.0.0-1.0000.9282.69.4.gem | 4.0.0-1.0000.9282.69.4.gem |
Third-Party Software Module Versions (and history)
| Module Name | Default: 2 May 2012 | Default: 5 December 2012 |
|---|---|---|
| amber | 11 | 11 |
| casino | 2.6 | 2.6 |
| castep | 6.0.1 | 6.1.0 |
| centori | October2011 | October2011 |
| cp2k | 2.3.15 | 2.4.12364 |
| cpmd | 3.13.2 | 3.13.2 |
| dalton | 2.0 | 2.0 |
| dlpoly | 4.02 | 4.03 |
| ebl | 4.0 | 4.0 |
| gamess-us | 01102010 | 01102010 |
| gromacs | 4.5.5 | 4.6.0 |
| gs2 | r1480_interlagos | r1480_interlagos |
| helium | helium_cle4.0 | helium_cle4.0 |
| lammps | lammps-28Mar12 | lammps-28Mar12 |
| namd | 2.9 | 2.9 |
| nemo | 2.3 | 2.3 |
| nwchem | 6.1 | 6.1.1 |
| parafem | r40 | r40 |
| R | 2.14.0 | 2.14.0 |
| siesta | 3.1 | 3.1 |
| vasp | 4.6 | 4.6 |
| vasp5 | 5.2.12 | 5.3.2 |
Module Removals
| Module Name | Removed: 17 April 2013 |
|---|---|
| xt-libsci | 11.1.00 11.1.01 |
| petsc/cray-petsc | 3.2.* |
| petsc-complex/cray-petsc-complex | 3.2.* |
| trilinos/cray-trilinos | 10.8.3.1 |
| tpsl/cray-tpsl | 1.0.01 1.2.01 |
| netcdf/cray-netcdf | 4.0.1.3 4.1.1.0 |
| netcdf-hdf5parallel/cray-netcdf-hdf5parallel | 4.0.1.3 4.1.1.0 |
| xt-mpich2/xt-shmem | 5.5.* |
| cray-mpich2/cray-shmem | 5.5.* |
| mrnet | 2.2.0.1 |
| xt-totalview | 8.7.0 8.9.0 8.9.1 8.10.0 |
| totalview-support | 1.0.6 1.1.1 |
| perftools | 6.0.0 |
| papi | 5.0.0 |
| xt-papi | 3.6.2.2 4.1.3 4.2.0 |
| atp | 1.4.4 1.5.* |
| stat | 1.2.1.2 |
| pgi | 12.4.0 12.5.0 12.6.0 12.8.0 |
| gcc | 4.7.0 4.7.1 |
| cce | 8.0.5 8.0.6 8.0.7 8.1.0 8.1.1 8.1.3 |
| chapel | 1.5.0 |
| xt-asyncpe | 5.10-5.15 |
| pmi | 3.0.1-1.0000.9101.2.26.gem |
