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| Applications | Version | Notes, for CAC |
|---|---|---|
| quantum espresso | 6.0 (serial and mpi version) | "easy" |
| gaussian | g09-A.02 & g09-D.01 | Lulu to install, please. She compilied using PGI (PGI's use is via ChemIT's license server) |
| gromacs | gromacs-5.0.5 (with/without enable-mpi & GMX_DOUBLE=on/off) | "easy" |
| intel compiler | 2014 (used for compiling gromacs, openmpi and mpich2) | ChemIT license server: Need Needs IP of cluser |
| mathematica | 10.3.0 | ChemIT license server: Need Needs IP of cluser |
| mopac | 2009 | "easy" |
| mpich | 1.2.7.p1 | "easy" |
| mpich2 | 1.4.1p1 | "easy" |
| openmpi | 1.6.5 | "easy" |
| webmo | 17.0.010e | Difficult/ complex: Contact Lulu first |
...