OSC is refreshing the software stack on Oakley on September 15, 2015 (during the scheduled downtime); something we have not done since Oakley entered service in 2012. During the software refresh, some default versions are updated to be more up-to-date and some older versions are removed. Information about the old and new default versions, as well as all available versions of each software package will be included on the corresponding OSC software webpage. See https://www.osc.edu/supercomputing/software-list.
If you compile and link your own software you need to be particularly aware of the changes in the default modules. You will probably need to either rebuild your software or explicitly load the compiler and MPI modules that you built your code with before you run the code.
module load modules/au2014 . This environment was the default environment at login on Oakley from 2012 to 9/15/2015. If your code is built with compilers other than Intel compiler, you can explicitly load the default module prior to 9/15/2015 using the command module load name . Please refer to Compilers/MPI or the corresponding OSC software webpage (See https://www.osc.edu/supercomputing/software-list) for more information.The following table gives details about the upcoming changes to software applications. All version numbers refer to actual module names. Applications not listed here will remain unchanged.
| Software | Current default | New default | To be removed | Notes | |
|---|---|---|---|---|---|
| ABAQUS | 6.11-2 | 6.14 | 6.8-4, 6.8-4-test, 6.11-1, 6.11-1-test | ||
| AMBER | 11 | 14 | |||
| ANSYS | 14.5.7 | 16.0 | 13, 15.0 | ansyspar licenses moving to Oakley | |
| COMSOL | 43a-4.3.1.161 | 51 | 42a, 50 | ||
| CUDA | 5.0.35 | 6.5.14 | 4.1.28, 4.2.9 | ||
| FLUENT | 15.0.7 | 15.0.7 | 13, 13-ndem, 13-test | no change to default; ansyspar licenses moving to Oakley | |
| Gaussian | g09c01 | g09d01 | |||
| GROMACS | 4.5.5 | 4.6.3 | |||
| LAMMPS | 12Feb12 | 5Sep14 | |||
| LS-DYNA | LS-DYNA (smp solvers) | 971_d_5.1.1 | 971_d_7.1.1 | R5.0 | |
| MPP-DYNA (mpp solvers) | 971_s_R5.1.1_ndem | 971_d_7.1.1 | R4.2.1, R5.0 | Dependent on IntelMPI | |
| MATLAB | r2013a | r2014b | R2011b, R2012a, R2012b | ||
| Python | 2.7.1 | 3.4.2 | 3.4.1 | Module only (misnamed) | |
| Q-Chem | 4.0.1 | 4.3 | |||
| STAR-CCM | 7.06.012 | 10.4.009 | 7.04 | ||
| TotalView | 8.9.2-1 | 8.14.1-8 | |||
| Turbomole | 6.3.1 | 6.5 | |||
| TurboVNC | 1.1 | 1.2 | |||
The following table gives details about the default versions for compilers and MPI implementations . The versions refer to actual module names.
| softwar | Current default | New default | To be removed | Notes |
|---|---|---|---|---|
| GNU Compilers | 4.4.7 | 4.8.4 | 4.4.5 (module only) | Module default version is not system default |
| Intel Compilers | 12.1.4.319 | 15.0.3 | 12.1.0, 13.0.1.117, 13.1.2.183 | |
| Intel MPI | 4.0.3 | 5.0.3 | Default depends on compiler version. | |
| MVAPICH2 | 1.7 | 2.1 | 1.7-r5140, 1.8-r5668, 1.9a2, 1.9a, 1.9b, 1.9rc1, 2.0a, 2.0rc1, 2.0 | Default depends on compiler version |
| PGI Compilers | 12.10 | 15.4 | 11.8, 12.5, 12.6, 12.9 |
The following libraries will be rebuilt for the new default compiler/mvapich2 versions.
| Software | New default | Notes |
|---|---|---|
| FFTW3 | 3.3.4 | |
| HDF5 | 1.8.15 | Patch 1, serial & parallel |
| Metis | 5.1.0 | |
| MKL | 11.2.3 | interfaces |
| NetCDF | 4.3.3.1 | serial & parallel, with Fortran & C++ interfaces |
| ParMetis | 4.0.3 | |
| ScaLAPACK | 2.0.2 | |
| SPRNG | 2.0b | |
| SuiteSparse | 4.4.4 | |
| SuperLU_DIST | 4.0 | |
| SuperLU_MT | 3.0 |