... | @@ -20,7 +20,9 @@ where *username* is your UPPA login. Then enter your UPPA password. |
... | @@ -20,7 +20,9 @@ where *username* is your UPPA login. Then enter your UPPA password. |
|
When connected to the cluster, enter the following commands (example given for the Gaussview software):
|
|
When connected to the cluster, enter the following commands (example given for the Gaussview software):
|
|
```
|
|
```
|
|
salloc
|
|
salloc
|
|
|
|
module avail
|
|
module load gaussview/6.0
|
|
module load gaussview/6.0
|
|
|
|
module list
|
|
gaussview &
|
|
gaussview &
|
|
exit
|
|
exit
|
|
```
|
|
```
|
... | @@ -37,3 +39,26 @@ Here are some self-explanatory job script examples for several softwares/applica |
... | @@ -37,3 +39,26 @@ Here are some self-explanatory job script examples for several softwares/applica |
|
* [Gaussian 16 job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/gaussian/sg16.sh).
|
|
* [Gaussian 16 job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/gaussian/sg16.sh).
|
|
* [VASP job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/vasp/svasp.sh).
|
|
* [VASP job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/vasp/svasp.sh).
|
|
* [CRYSTAL job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/crystal/scrystal.sh).
|
|
* [CRYSTAL job](https://git.univ-pau.fr/num-as/bilbo-cluster/blob/master/jobs/crystal/scrystal.sh).
|
|
|
|
|
|
|
|
## Useful commands
|
|
|
|
Submit a job:
|
|
|
|
```
|
|
|
|
sbatch script.sh
|
|
|
|
```
|
|
|
|
Cancel the *job_id* job (*job_id* is the number provided by Slurm to identify the job):
|
|
|
|
```
|
|
|
|
scancel job_id
|
|
|
|
```
|
|
|
|
Display the jobs in the waiting queue:
|
|
|
|
```
|
|
|
|
squeue
|
|
|
|
```
|
|
|
|
Display the jobs of user *username* in the waiting queue:
|
|
|
|
```
|
|
|
|
squeue -u username
|
|
|
|
```
|
|
|
|
Display the current state of compute nodes:
|
|
|
|
```
|
|
|
|
sinfo
|
|
|
|
```
|
|
|
|
|