Build/run WRF in container using intel compiler

[georgemccabe]

David Hahn has experience using Intel compilers.

Describe the Task

Create a dockerfile and build script to create an image with WPS and WRF.

• [x] Use ubuntu:22.04 as base image
• [x] Install Intel compilers
• [x] Add user wrfuser with uid=5000
• [x] Update /etc/bashrc to configure paths and compiler environment
• [x] Update /etc/security/limits.conf to allow unlimited stack space for all users (necessary to run WRF)
• [x] Download software dependencies:
  • [x] CMake 3.25
  • [x] ECCodes 2.27.0
  • [x] g2clib 1.6.0
  • [x] jasper 1.900.29
  • [x] hdf5 1.10.10
  • [x] libaec 1.0.6
  • [x] libpng 1.2.50
  • [x] ncview 2.1.7
  • [x] netcdf 4.7.3
  • [x] netcdf-cxx 4.3.1
  • [x] netcdf-fortran 4.5.2
  • [x] szip 2.1.1
  • [x] zlib 1.2.11
  • [x] udunits 2.2.28
• [x] Create patches to allow WPS v4.4 and Jasper 1.900.29 with latest compilers
• [x] Compile the above software dependencies
• [x] Compile WRF 4.3.3
• [x] Compile WPS 4.4
• [x] Add steps to check error codes of library builds
• [x] Add steps to check for expected WRF and WPS files from the build
• [x] Add a WPS patch to fix errors with the icx compiler from Intel oneAPI
• [ ] Add WRF/WPS versions into the documentation

Time Estimate

Estimate the amount of work required here. Issues should represent approximately 1 to 3 days of work.

Sub-Issues

None

Relevant Deadlines

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Funding Source

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• [x] Select scientist(s) or no scientist required

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Projects and Milestone

• [x] Select Repository and/or Organization level Project(s) or add alert: NEED PROJECT ASSIGNMENT label
• [x] Select Milestone as the next official version or Future Versions

Task Checklist

• [x] Complete the issue definition above, including the Time Estimate and Funding Source.
• [x] Fork this repository or create a branch of develop. Branch name: feature_<Issue Number>_<Description>
• [x] Complete the development and test your changes.
• [x] Add/update log messages for easier debugging.
• [ ] Add/update unit tests.
• [ ] Add/update documentation.
• [x] Push local changes to GitHub.
• [ ] Submit a pull request to merge into develop. Pull request: feature <Issue Number> <Description>
• [ ] Define the pull request metadata, as permissions allow. Select: Reviewer(s) and Development issues Select: Repository level development cycle Project for the next official release Select: Milestone as the next official version
• [ ] Iterate until the reviewer(s) accept and merge your changes.
• [ ] Delete your fork or branch.
• [ ] Close this issue.

[georgemccabe]

20230707 - decided to use ubuntu 22.04 as base image

[georgemccabe]

@hahnd, to wrap up this issue:

• [ ] Indicate the target version of WRF to be used here: WRF-4.5.2 and WPS 4.5 ??? -- add this information to the documentation
• [x] Build the latest WRF container and push it to DockerHub ncar/iwrf
• [ ] Create a pull request to merge these changes into main

Please add any other action items needed before closing this issue.

Please request a review from @georgemccabe when submitting the PR for this work.

[hahnd]

The latest WPS (v4.6.0) does not compile with the Intel oneAPI compilers. See WPS#245 for details. The next WPS release should include the fix and we will update this branch to the latest WPS version before creating a PR.

[georgemccabe]

@hahnd, could you provide an update on this issue? Is this ready to merge?

[hahnd]

@georgemccabe - There is more work to do on the docker images and documentation. Last week we decided we want to make sure that the LULC (older WRF and WPS versions) are running on multiple nodes on redcloud. So, if we close this issue, we need to open a new one for that. The scope of this issue has certainly grown quite large.

[jaredalee]

@hahnd Could you please provide an update here on what you did for the WPS/WRF docker images for the LULC use case (subtask of #31)? If that's all done, can we close the issue, or is there anything more left to be done?

[hahnd]

The #40 feature branch has two subdirectories under the docker directory: one for LULC and one for I-WRF.

The LULC docker scripts build WRF 4.3.3 and WPS 4.4. The I-WRF docker scripts build WRF 4.5.2 and WPS develop.

The WPS develop branch builds with the latest Intel compilers. Not sure if WPS developers ever released a version to support this. We could check with @islas. It would be good to put a fixed version number in there before merging this branch.