howto:quantum_espresso_checkpointing_restarting
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howto:quantum_espresso_checkpointing_restarting [2021/10/18 13:22] alopis |
howto:quantum_espresso_checkpointing_restarting [2021/12/09 16:42] (current) |
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| - | 1. You believe your job will complete within 20 hours for example, or that around 20 hours is a vital point in the calculation where you believe restarting from is important, or that you've seen your job fail previously after 20 hours: | + | **1.** You believe your job will complete within 20 hours for example, or that around 20 hours is a vital point in the calculation where you believe restarting from is important, or that you've seen your job fail previously after 20 hours: |
| Set your PBS job walltime greater than 20 hours (23 hours for example), and choose max_seconds equivalent to 20 hours. | Set your PBS job walltime greater than 20 hours (23 hours for example), and choose max_seconds equivalent to 20 hours. | ||
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| - | 2. Your job may not complete in the maximum PBS walltime of 48 hours on the //normal// queue, so then choose max_seconds equivalent to less than 48 hours, such as 45 hours: | + | **2.** Your job may not complete in the maximum PBS walltime of 48 hours on the //normal// queue, so then choose max_seconds equivalent to less than 48 hours, such as 45 hours: |
| 45 hours = 45 x 60 x 60 = 162 000 seconds\\ | 45 hours = 45 x 60 x 60 = 162 000 seconds\\ | ||
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| - | 3. Your job may not complete in the maximum PBS walltime of 96 hours on the //smp// queue, so then choose choose max_seconds equivalent to less than 96 hours, such as 93 hours: | + | **3.** Your job may not complete in the maximum PBS walltime of 96 hours on the //smp// queue, so then choose choose max_seconds equivalent to less than 96 hours, such as 93 hours: |
| 93 hours = 93 x 60 x 60 = 334 800 seconds\\ | 93 hours = 93 x 60 x 60 = 334 800 seconds\\ | ||
/app/dokuwiki/data/attic/howto/quantum_espresso_checkpointing_restarting.1634556176.txt.gz · Last modified: 2021/12/09 16:42 (external edit)
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