# Running `calphy`

#

After the calculations are specified in the input file, `calphy`

can be run by:

```
calphy -i inputfilename
```

The `calphy`

command will wrap each calculation defined in the `calculations`

block into a script and submit it based on the scheduler specified.

Alternatively, if you want to run a calculation directly from the terminal, the `calphy_kernel`

command can be used.

```
calphy_kernel -i input.yaml -k 0
```

An extra argument `-k`

or `--kernel`

is required, which takes an integer argument. This argument refers to the which calculation needs to be run from the input file. For example if the `calculations`

block of the input file is as follows:

```
calculations:
- mode: ts
temperature: [1200, 1400]
pressure: [0]
lattice: [FCC, LQD]
repeat: [5, 5, 5]
reference_phase: [solid, liquid]
n_iterations: 1
```

Specify `-k 0`

will run a calculation block equivalent to:

```
- mode: ts
temperature: [1200, 1400]
pressure: [0]
lattice: [FCC]
repeat: [5, 5, 5]
reference_phase: [solid]
n_iterations: 1
```

and `-k 1`

will run:

```
- mode: ts
temperature: [1200, 1400]
pressure: [0]
lattice: [LQD]
repeat: [5, 5, 5]
reference_phase: [liquid]
n_iterations: 1
```