howto:amber
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howto:amber [2024/08/12 13:24] alopis |
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 | + | When running jobs for either AMBER14, AMBER18 or AMBER20 |
| - | **Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the modules | + | **Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the Easy Scripts |
| module load chpc/ | module load chpc/ | ||
| - | Just execute **qamber_14** or **qamber_18**. | + | 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. | ||
| Line 54: | Line 54: | ||
| y | y | ||
| | | ||
| - | ====== AMBER18 on GPU ====== | + | ====== AMBER18 |
| ** //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.1723461895.txt.gz · Last modified: 2024/08/12 13:24 by alopis
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