Luca Babetto

icon indicating a website link https://www.cineca.it/en

icon company Cineca icon location Via Magnanelli 6/3 - 40033 Casalecchio di Reno - Bologna, Italy icon location HPC Specialist at Cineca

Results 2 issues of Luca Babetto

Interruptible Sleep (S) state for DFTB+

DFTB+ is stuck in interruptible sleep (S) state. Unlikely to be a bug with the code and more likely a misconfiguration with our workstation, but I don't have the expertise...

Optimization of the geo_end.xyz file

2 comment

**Is your feature request related to a problem? Please describe.** The geo_end.xyz file can become quite large for long MD simulations. **Describe the solution you'd like** Saving ONLY the atom...