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Add prolate spheroidal and update build to Rocky OS 8 #9

Merged
merged 22 commits into from
Oct 27, 2024
Merged

Add prolate spheroidal and update build to Rocky OS 8 #9

merged 22 commits into from
Oct 27, 2024

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joshkamm
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@joshkamm joshkamm commented Oct 4, 2024 •
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  • Ask Paul to review pull request -> he looked at it and has approved merging once it works with Vaibhav's code
  • Send Vaibhav a link to the branch and ask him to test the prolate spheroidal update with his code
  • When merging this branch, also let Paul know so he can try installing and using it.

closes #6

ndmeier25 and others added 12 commits September 27, 2024 15:23
@ndmeier25
#6 Added PS files, updated main.cpp and CMake accordingly. Also adjus…
1c4df50 
…ted environment for new head node
@ndmeier25
Edited CMake to compile with C++14 to be compatible with CUDA 12.6 (N…
9ed462f 
…VHPC 24.9)
@joshkamm
porting pixi stuff from #5 into a fresh branch from SGPU_Update
4246813 
Previous branch was based on nate branch which contains commits we're no longer planning to merge into main
@joshkamm
pixi: streamline commands in current linux module based build
fb5aec7
@ndmeier25
#6 Next round of PMZ changes
c1fb5fb 
Fixes small bugs, adds nbatch
@joshkamm
wip porting env.set.local0 to pixi.toml
bee3c76
@joshkamm
add slurm job task
121be19
@joshkamm
pixi: integrating nvidia-sdk module load contents into pixi.toml
279737b
@joshkamm
pixi.toml cleanup
e884d14
@ndmeier25
#6 Small PMZ edits
a22eb7f 
removed redundant functions, added test integrals for geom_1 and geom_ps, prl adjustments
@joshkamm
pixi: setting up for a portable linux-64 build
a5d6604
@ndmeier25
#6 Output adjustments
9e66888 
Cleaned up prl, removed unnecessary print statements, stopped PS runs from calculating non-PS integrals
@joshkamm joshkamm requested a review from paulzim46 October 4, 2024 17:22
@joshkamm joshkamm removed the request for review from paulzim46 October 4, 2024 19:01
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joshkamm commented Oct 4, 2024

I just met with Paul after CheML meeting. He said he is satisfied with his reviewing of this pull request and doesn't need to see it again. Once Vaibhav can successfully use his code with this branch as a dependency we are free to merge the pr.

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@ndmeier25 when you get a chance I'm hoping the josh-build branch of FancyElectrons is working well enough that you can do whatever testing of SlaterGPU you were trying to do a couple weeks ago but couldn't because FancyElectrons was broken.

@ndmeier25 ndmeier25 merged commit 8c5b745 into main Oct 27, 2024
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Add Paul's prolate spheroidal coordinates code
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