Software installed on Ookami
The toolchains of gnu, arm and cray are currently installed on Ookami.
Arm contains the debugger ddt, the profiler map, and the performance reports for advanced reporting capabilities. The Cray toolchain includes the debugging tools gdb4hpc (general debugger), valgrind4hpc (for detecting memory leaks and errors in parallel applications) and atp (first-line tool to diagnosis crashing applications). The GNU toolchain provides the gdb debugging tool.
Other than that, various libraries (e.g. lapack, openblas, fftw) and various MPIs are installed on the system.
Installed science codes include (note that this list is continuously growing and not immediatley updated here. Also if you require a specific software, let us know and we will install it):
- Gromacs
- Lammps
- Namd
- OpenFOAM
- QuantumEspresso
- Siesta
- VASP