====== Getting started with VASP ======

**Step 1: Perform  [[https://wiki.storion.ru/start/term| these steps]] if you have no own Linux-based machine**

**Step 2: Connect to the machine with VASP**

**Step 3: Create an empty folder for your test run of VASP**
<code>
mkdir vasp
cd vasp
</code>

**Step 4: Copy necessary files for VASP**
  * INCAR
  * POSCAR
  * POTCAR
  * KPOINTS
Example set of files can be dowloaded [[https://storion.ru/df/test_calculation_vasp.zip|here]]

  *1. You can download the archive to your computer and then copy it to the cluster using scp utility 
<code>
cd path_to_archive
scp test_calculation_vasp.zip your_username@ip_address_of_cluster:vasp/ #terminal should be run on your computer and you have to be in the directory with the archive
ssh your_username@ip_address_of_cluster #move to the cluster
cd vasp #move to the folder inside cluster where our archive is after scp command is performed
unzip test_calculation_vasp.zip 
</code>
  *2. The second way is easier. You should connect to the cluster via ssh, move to the folder vasp and download our archive using wget utility
<code>
ssh your_username@ip_address_of_cluster #move to the cluster
cd vasp #move to the folder inside cluster 
wget https://storion.ru/df/test_calculation_vasp.zip
unzip test_calculation_vasp.zip 
</code>


**Step 5: Create a run script** Example can be found at the page of corresponding cluster. The script should be created in the folder with VASP files (test_calculation_vasp in our case)


**Step 6: Run calculation** 
<code>
sbatch run #if there is SLURM workload manager
</code>
or
<code>
qsub run #if there is Torque workload manager 
</code> 

The short describtions with basic commands you can find here: [[https://wiki.storion.ru/linux/slurm|SLURM]] and [[linux:torque|Torque]]. The type of workload manager can be found in the description of the cluster (see corresponding page)