HPC at DTU is both a facility where students and researchers can run their simulations, but also a laboratory where to develop new software taking advantage of all the possibility of modern High Performance Computing, and to experiment with different solutions. For this reason, an extensive set of software packages, development tools and libraries is available and constantly kept up to date.
The HPC staff takes care of the installation, the management, and the maintenance of the software, with an eye towards reliability and performance.
Here is an incomplete list of the software available
Intel 2013 – 2016
gcc 4.4.7, 4.7.2 – 6.2.0
open64 4.2.4, 5.0
cuda 5.5, 6.0, 7.0, 7.5, 8.0
Performance analysis tools
Chemistry/Physical Chemistry/Molecular simulations