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--- howto:gromacs [2021/12/09 16:42]
127.0.0.1 external edit
+++ howto:gromacs [2024/08/12 13:29] (current)
alopis
@@ Line 1: / Line 1: @@
 ====== Gromacs ======
-Execute **qgromacs_2018**, **qgromacs_2018-2**,**qgromacs_2019-4** or **qgromacs_2020-1** on login node and follow the prompts.
+The available **Easy Scripts** (cpu and gpu versions) for Gromacs are:
+**qgromacs_2024-1,  qgromacs_2023-1, qgromacs_2022-4, qgromacs_2020-1,qgromacs_2019-4, qgromacs_2018-6, qgromacs_2018-2 and qgromacs_2018 **
+**qgromacs_2024-1_gpu,  qgromacs_2023-1_gpu, qgromacs_2021-1_gpu, qgromacs_2020-1_gpu, qgromacs_2019-4_gpu and qgromacs_2018-6_gpu**
+Execute any of these **Easy Scripts** on the login node (on a lustre subdirectory) and follow the prompts.
 This script handles PBS setup and submission.
 Sets up the mpi environment variables allowing you to run over multiple processors and nodes.
@@ Line 7: / Line 14: @@
-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 Easy Scripts should be visible and available:
   module load chpc/easy_scripts

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