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NAMD 3.0b6 (GH200, single node) #85

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merged 28 commits into from
May 22, 2024
Merged

NAMD 3.0b6 (GH200, single node) #85

merged 28 commits into from
May 22, 2024

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RMeli
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@RMeli RMeli commented Apr 18, 2024

The charmpp and namd packages include the following PRs (not yet included in a release of Spack):

@RMeli RMeli mentioned this pull request Apr 19, 2024
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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 26, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

This PR now also propagate the jfrog_u and jfrog_p variables (as it is done for http_proxy), so that they are available within the pre-install script as CSCS_REGISTRY_USERNAME and CSCS_REGISTRY_PASSWORD.

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented Apr 29, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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Looks good. I have just a couple of little comments.

recipes/namd/3.0b6/gh200/environments.yaml Outdated Show resolved Hide resolved
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RMeli commented May 6, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

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RMeli commented May 7, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

@RMeli RMeli requested a review from bcumming May 7, 2024 09:13
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RMeli commented May 8, 2024

cscs-ci run alps;system=santis;uarch=gh200;uenv=namd:3.0b6

@RMeli RMeli changed the title NAMD (GH200, single node) NAMD3.0b6 (GH200, single node) May 15, 2024
@RMeli RMeli changed the title NAMD3.0b6 (GH200, single node) NAMD 3.0b6 (GH200, single node) May 15, 2024
@bcumming bcumming merged commit f6b135c into eth-cscs:main May 22, 2024
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@RMeli RMeli mentioned this pull request May 23, 2024
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bcumming pushed a commit that referenced this pull request May 27, 2024
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Add NAMD to documentation (#98)
d49b63e 
* Add NAMD to documentation, following #85
* Use official names for packages in index
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