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howto:quantum_espresso [2021/10/05 11:24]
alopis
howto:quantum_espresso [2024/08/12 17:12] (current)
alopis
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 ====QUANTUM ESPRESSO job submission==== ====QUANTUM ESPRESSO job submission====
-Please see this info regarding [[howto:quantum_espresso|CheckPointing/Restarting]] in order to allow your job to continue if it runs out of walltime or fails.+Please see this info regarding  [[ howto:quantum_espresso_checkpointing_restarting]] in order to allow your job to continue if it runs out of walltime or fails.
  
 Execute **qesp_6.3.0** or **qesp_6.4.0** **qesp_6.4.1**  **qesp_6.4.1_gnu** **qesp_6.5_gnu** or **qesp_6.6** on the login node and follow the prompts. Execute **qesp_6.3.0** or **qesp_6.4.0** **qesp_6.4.1**  **qesp_6.4.1_gnu** **qesp_6.5_gnu** or **qesp_6.6** on the login node and follow the prompts.
  
-Note, please first include this module - even better if your add this line to your .bashrc:+**Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the East Scripts should be visible and available:
  
   module load chpc/easy_scripts   module load chpc/easy_scripts
/app/dokuwiki/data/attic/howto/quantum_espresso.1633425890.txt.gz · Last modified: 2021/12/09 16:42 (external edit)