Details for end-users regarding their applications on Matrix, including who the group contact.
| Application | Version number | Group's application | location (path, on Matrix) | Compiled with, if relevant) (info from ChemIT) | mpi, if relevant | Other notes |
|---|---|---|---|---|---|---|
| amber | 10 | Pawel | /software/amber10 | |||
| amber | 14 | Pawel | /software/amber14 | intel_2015.0.090 | mpich2-1.4.1p1-intel_2015.0.090 | |
| gamess | 2009 | Czarek | /software/gamess2009 | |||
| gaussian | g03 | Adam | /software/g03 | |||
| gaussian | g09-C.01 | Jorge | /software/g09-C.01 | |||
| gaussian | g09-D.01 | Jorge | /software/g09 | PGI 14.7 | Default g09 version is g09-D.01 | |