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howto:amber

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howto:amber [2018/09/13 15:38]
kgovender 		howto:amber [2024/10/09 12:42] (current)
alopis
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 ===== Amber jobs on non-GPU nodes ===== ===== Amber jobs on non-GPU nodes =====
  
-When running jobs for either AMBER12 or AMBER14 use the easy setup and submission scripts provided on the login node. +When running jobs for either AMBER14, AMBER18 or AMBER20 use the easy setup and submission scripts provided on the login node. 
-Just execute **qamber_12**, **qamber_14** or **qamber_18**.+ 
 +**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 
 + 
 + 
 +Just execute **qamber_14** or **qamber_18** or **qamber_20**.
 Examples of what the scripts look like are provided below. Examples of what the scripts look like are provided below.
  
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-====== AMBER18 on GPU ======+====== AMBER18 and AMBER20 on GPU ======
  
 ** //Please note that you need to first be added to the gpu_1 queue before you can submit jobs to the GPU cluster// ** ** //Please note that you need to first be added to the gpu_1 queue before you can submit jobs to the GPU cluster// **
/app/dokuwiki/data/attic/howto/amber.1536845891.txt.gz · Last modified: 2021/12/09 16:42 (external edit)

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