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--- howto:quantum_espresso [2020/01/23 15:27]
kgovender
+++ howto:quantum_espresso [2024/08/12 17:12] (current)
alopis
@@ Line 1: / Line 1: @@
 ====QUANTUM ESPRESSO job submission====
-Execute **qesp_6.3.0** or **qesp_6.4.0** **qesp_6.4.1** or **qesp_6.4.1_gnu** on the login node and follow the prompts.
+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.
+**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
 This script handles PBS setup and submission.
 Sets up the mpi environment variables allowing you to run over multiple processors and nodes.

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