Code

Hq as light scheduler#795

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Merged

unkcpz merged 37 commits intomainaiidalab/aiidalab-qe:mainfrom hqaiidalab/aiidalab-qe:hqCopy head branch name to clipboardOct 17, 2024

+239-63

Commits

Commits on Sep 10, 2024

• before-notebook script for set up hq computer

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• Rename install to install_and_setup

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• setup_codes which separate qe install and codes setup in two functions

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• Workable

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• finaly code setup is working!!

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• Get mem/cpu info from cgroup

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• Round HQ cpu to integer

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• Calculate number of CPU??

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• Correctly set NUM_CPU and MEM for hq local

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• num_cpus setting

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• Use custom hq plugin

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• resource setup specific for hq

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• fix after rebase

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Commits on Sep 16, 2024

• Use localhost as new computer name

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• Setup default mpiprocs and memory for hq computer

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• 0 decimal for memory read from cgroup

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• Update Dockerfile

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Commits on Sep 17, 2024

• Use edge full-stack which has bc and late daemon start

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• f-d: no if-else need to check if the computer already set

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• f-d: polishing uv order

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• HQ_COMPUTER as global ARG

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• json format to check qe is installed or not

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Commits on Sep 20, 2024

• flag file to check tar initialization

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• Merge branch 'main' into hq

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• test untar home

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• revert to dh method to check

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• revert to use old

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• use new base full-stack image

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• wc -l -le 1

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• add placeholder in work dir

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• separate qeapp copy

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• use flag file .FLAG_HOME_INITIALIZED

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Commits on Oct 17, 2024

• Merge branch 'main' into hq

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