Resources
How do we carry out our research? First and foremost, we use our brains. Then we use our pencils. Then we write the code. We run the code, we get the wrong results, and it all goes in the bin, or else we claim the experiment is wrong. Its a slow, painful process, but we are getting there. Now if I could just find my missing sock....
Codes
Codes which we currently use are:| Code | What it does | Availability |
| ABINIT | GS/MD/GW | Free download at Abinit homepage |
| PWscf | GS/MD | Free download at PWscf homepage |
| CPMI | GS/MD/EPS | Contact Giovanni Onida for details. |
| FHImd | GS/MD | Purchase from FHI site |
| SELF | EPS/GW/BSE/TDDFT | Restricted: see SELF homepage |
| dp | EPS/GW/BSE/TDDFT | Restricted: see dp homepage |
Key: GS = ground state/total energies; MD = molecular dynamics; GW = self energy; EPS = optical properties; BSE = solution of Bethe- Salpeter equation; TDDFT = time-dependent DFT.
Local computational resources [Back to top]
We have on-site three dual processor servers (parallelized with MPICH), five P4-class PCs and three older (but powerful) silicon graphics workstations.| OS | CPU | RAM | Disk |
| Servers | |||
| RedHat 9.0 | 2.4 GHz dual P4 | 4Gb | 90Gb |
| RedHat 9.0 | 2.4 GHz dual P4 | 4Gb | 120Gb |
| Fedora Core 3 | 3.0 GHz dual Athlon | 1Gb | 100Gb |
| PCs | |||
| RedHat 9.0 | 2.4 GHz P4 | 4Gb | 90Gb |
| Fedora Core 3 | 2.4 GHz P4 | 4Gb | 120Gb |
| Fedora Core 3 | 2.4 GHz P4 | 4Gb | 120Gb |
| Fedora Core 3 | 3.0 GHz P4 | 1Gb | 100Gb |
| SGI workstations | |||
| IRIX64 | ? GHz | 2Gb | 140Gb |
| IRIX64 | ? GHz | 1Gb | 90Gb |
| IRIX64 | ? GHz | 4.5Gb | 12Gb |
Some snapshots of interest to burglars.
Supercomputing time [Back to top]
Thanks to our affiliation with INFM, we receive a generous quota on the IBM SP5 and IBM Linux Cluster based in CINECA, Bologna. This allows us to tackle heavier calculations that require large amounts of memory, or to run heavily parallelized codes such as PWscf or SELF.
