cluster:214
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cluster:214 [2022/08/03 13:10] hmeij07 [Amber22] |
cluster:214 [2023/08/18 16:19] (current) hmeij07 [Upgrading] |
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| ==== Upgrading ==== | ==== Upgrading ==== | ||
| - | Figure out an upgrade process before going production (don't forget any chroot images and rebuild images). | + | Figure out an upgrade process before going production. |
| + | |||
| + | * **Do you actually want to upgrade OpenHPC? | ||
| + | * v2.6 deploys ww4.x (maybe not want this, containers) | ||
| + | * chroot images and rebuild images | ||
| + | * OneAPI similar conflicts? (/opt/intel and / | ||
| + | * slurm complications? | ||
| + | * **Upgrade Openhpc, OneAPI should be on new head node** | ||
| + | * test compatibility compilers | ||
| + | * slurm clients | ||
| < | < | ||
| Line 403: | Line 412: | ||
| yum upgrade " | yum upgrade " | ||
| yum upgrade " | yum upgrade " | ||
| + | |||
| + | or | ||
| + | |||
| + | yum update --disablerepo=* --enablerepo=[oneAPI, | ||
| </ | </ | ||
| + | **Upgrade history** | ||
| + | * OS only, 30 Jun 2022 (90+ days up) - no ohpc, oneapi (/opt) | ||
| + | * OS only, 18 Aug 2023 (440+ days up) - no ohpc, oneapi (/opt) | ||
| + | * | ||
| ==== example modules ==== | ==== example modules ==== | ||
| Line 531: | Line 548: | ||
| </ | </ | ||
| - | ** Example script run.centos for cpui or gpu run** (queues mwgpu, exx96) | + | ** Example script run.centos for cpus or gpu run** (queues mwgpu, exx96) |
| < | < | ||
| Line 641: | Line 658: | ||
| ==== Amber22 ==== | ==== Amber22 ==== | ||
| - | |||
| - | First establish a successful run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script. | ||
| - | |||
| - | < | ||
| - | |||
| - | module load amber/22 | ||
| - | |||
| - | # if the module does not show up in the output of your console | ||
| - | |||
| - | module avail | ||
| - | |||
| - | # treat your module cache as out of date | ||
| - | |||
| - | module --ignore_cache avail | ||
| - | |||
| - | </ | ||
| Amber22 is somehow incompatible with CentOS/ | Amber22 is somehow incompatible with CentOS/ | ||
| Line 674: | Line 675: | ||
| </ | </ | ||
| - | First establish a success full run with the **run.centos** script for Amber20 (listed above). Then edit the script and apply these edits. We had to use a specific compatible '' | + | First establish a successful run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script. (for queues amber128 [n78] and test [n100-n101] for gpus and mw128 and tinymem for cpus) |
| + | |||
| + | < | ||
| + | |||
| + | module load amber/22 | ||
| + | |||
| + | # if the module does not show up in the output of your console | ||
| + | |||
| + | module avail | ||
| + | |||
| + | # treat your module cache as out of date | ||
| + | |||
| + | module --ignore_cache avail | ||
| + | |||
| + | </ | ||
| + | |||
| + | First establish a success full run with the **run.centos** script for Amber20 (listed above, for cpus or gpus on queues mwgpu and exx96). | ||
| + | |||
| + | Then edit the script and apply these edits. We had to use a specific compatible '' | ||
| < | < | ||
| Line 686: | Line 705: | ||
| export LD_LIBRARY_PATH=/ | export LD_LIBRARY_PATH=/ | ||
| + | # edit or add correct source line, which and ldd lines just for debugging | ||
| ###source / | ###source / | ||
| ###source / | ###source / | ||
| Line 691: | Line 711: | ||
| which nvcc mpirun python | which nvcc mpirun python | ||
| ldd `which pmemd.cuda_SPFP` | ldd `which pmemd.cuda_SPFP` | ||
| - | |||
| - | # which and ldd just for debugging | ||
| </ | </ | ||
cluster/214.1659532252.txt.gz · Last modified: 2022/08/03 13:10 by hmeij07
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