Software Refresh - August/September 2018

OSC is refreshing the software stack for Owens and Ruby on September 4, 2018. This will be done by a rolling reboot. During the software refresh, some default versions are updated to be more up-to-date. 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

Summary of Changes

  • New versions of the compilers and MPI have been installed and will become the defaults. Libraries will be rebuilt with the new default compilers and MPI. The newest stable version of each library will be used in most cases.
  • For software applications, the latest installed version will become the default in most cases, but the current default version will be kept and can be requested explicitly. New versions of some applications will be installed (which is done by request).

Impact on User-Built Software

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.

To load the default environment at login on Owens or Ruby prior to the rolling reboot (9/4/2018), use the command   module load modules/au2016   . This environment was the default environment at login on Owens and Ruby until 9/4/2018. If your code is built with compilers other than Intel compiler, you can explicitly load the old default module using the command module load name/version . Please refer to Compilers/MPI or the corresponding OSC software webpage (See for more information.
Libraries for intel/18.0.3 and intel/17.0.7 are not compatible with cxx17. Intel compilers need gnu library to support 2017 ISO C++ standard, and cxx17 is the module to load the gnu environment for the intel compilers. You could have errors when you try to compile with the libraries with the default intel environment. Currently, we are fixing the issue. For the update, please see the Known Issue page for more information.



The following table gives details about the default versions for compilers and MPI implementations . The versions refer to actual module names, except where otherwise noted. Intel 17.0.7 and gnu 4.8.5 is also available with mvapich2 2.3.

Software Old default new default notes
intel 16.0.3 18.0.3  
gnu 4.8.4 7.3.0 Module default is not system default
pgi 16.5.0 18.4  
mvapich2 2.2 2.3 ***compiler-dependent
intelmpi 5.1.3 2018.3 Intel compiler only
openmpi 1.10-hpcx 3.1.0-hpcx Owens only


The following libraries will be rebuilt for the new default compiler/mvapich2 versions and also for gnu/4.8.5 and intel/17.0.7 with the new version of mvapich2 2.3.

software old default new default notes
boost 1.63.0 1.67.0 Intel and gnu compilers only, no mpi
fftw3 3.3.5 3.3.8  
hdf5 1.8.17 1.10.2 serial & parallel
metis 5.1.0 5.1.0  
mkl 11.3.3 2018.0.3 Interfaces not built. Contact if you need them.
netcdf 4.6.1 serial & parallel, with Fortran & C++ interfaces
parmetis 4.0.3 4.0.3  
scalapack 2.0.2 2.0.2  
ncarg 6.3.0 6.5.0 Intel and gnu compilers only. Ownes only.


The following table gives details about the upcoming changes to software applications. All software names and version numbers refer to actual module names. 

Software Old default New default Notes
cmake 3.7.2 3.11.4  
python 3.6 3.6-conda5.2 2.7-conda5.2 is also available.
git 1.9.4 2.18.0  
cuda 8.0.44 9.2.88  
R 3.2.0 3.5.0 Owens only
arm-ddt 7.0 18.2.1  
arm-map 7.0 18.2.1  
arm-pr 7.0 18.2.1  
virtualgl 2.5 2.5.2  
darshan 3.1.2 3.1.6 Owens only
siesta 4.0 4.0.2 Owens only
siesta-par 4.0 4.0.2 Owens only
lammps 14May16    
gromacs 5.1.2 2018.2 Owens only
namd 2.12    
amber 16    
paraview 4.4.0 5.5.2  
qchem 4.4.1 5.1.1  
schrodinger 16 2018.3 Owens only
abaqus 2016 2018 Owens only
turbomole 7.1 7.2.1 Owens only
ansys 17.2 19.1 Owens only
comsol 52a 53a Owens only
starccm 11.06.011 13.02.011 Owens only
turbovnc 2.1.1 2.1.90  
matlab r2016b r2018a  
gaussian g09e01 g16a03  
nwchem 6.6 6.8 Owens only
turbovnc 2.1.1 2.1.90