Issues

• Speed up NVHPC install in CI (parallel download, igzip, mv instead of installer copy)

  ZimmermanGroup/SlaterGPU#101 · Filter by author joshkamm opened on Jul 11, 2026

• OpenACC kernel names truncated for long source paths, causing duplicate device functions (NVVM_ERROR_COMPILATION)

  ZimmermanGroup/SlaterGPU#99 · Filter by author joshkamm opened on Jul 9, 2026
  1

• pixi 0.71 breaks build-backend resolution — pixi-build-cmake <=0.3.8 cap too low (recurring; all pixi-build repos)

  ZimmermanGroup/SlaterGPU#96 · Filter by author joshkamm opened on Jun 30, 2026
  2

• Build reliability: slatergpu git-main builds fail (path-dep workaround); confirmed facet = find_package(MPI REQUIRED)

  ZimmermanGroup/SlaterGPU#95 · Filter by author joshkamm opened on Jun 19, 2026
  1

• Paul found a couple gaussian integral related bugs

  ZimmermanGroup/SlaterGPU#91 · Filter by author joshkamm opened on May 20, 2026

• Declare run-exports to consolidate downstream consumers' duplicate pixi.toml entries

  ZimmermanGroup/SlaterGPU#89 · Filter by author joshkamm opened on May 12, 2026
  2

• Enable libcint 4-center 1-electron overlap integrals (WITH_4C1E)

  ZimmermanGroup/SlaterGPU#82 · Filter by author joshkamm opened on Mar 26, 2026
  2

• Paul doesn't think libcint needs to be pinned and could be any recent version

  ZimmermanGroup/SlaterGPU#79 · Filter by author joshkamm opened on Feb 25, 2026
  1

• MultiGPU runs seg fault

  ZimmermanGroup/SlaterGPU#60 · Filter by author Vaibhav-Chemistry opened on Sep 15, 2025

• Configure pixi so it only recompiles when necessary

  ZimmermanGroup/SlaterGPU#49 · Filter by author joshkamm opened on Aug 13, 2025
  

• pixi shell reruns cmake on every invocation even if nothing changed

  ZimmermanGroup/SlaterGPU#46 · Filter by author joshkamm opened on Aug 12, 2025
  

• Instructions for running as a slurm job

  ZimmermanGroup/SlaterGPU#45 · Filter by author joshkamm opened on Aug 12, 2025
  

• Becke grid bug

  ZimmermanGroup/SlaterGPU#33 · Filter by author joshkamm opened on Jul 3, 2025
  

• Expand automated testing to multiple examples

  ZimmermanGroup/SlaterGPU#30 · Filter by author joshkamm opened on May 23, 2025
  

• Gaussian orbital example + test

  ZimmermanGroup/SlaterGPU#25 · Filter by author joshkamm opened on Mar 29, 2025
  1

  

• 4 center integrals

  ZimmermanGroup/SlaterGPU#24 · Filter by author joshkamm opened on Jan 23, 2025
  

• Investigate how to get nvhpc on gh actions gpu runner with pixi

  ZimmermanGroup/SlaterGPU#23 · Filter by author joshkamm opened on Jan 22, 2025
  

• How to choose nrad / nang values for a molecule

  ZimmermanGroup/SlaterGPU#15 · Filter by author joshkamm opened on Nov 8, 2024
  1

• running examples doesn't match sample outputs

  ZimmermanGroup/SlaterGPU#13 · Filter by author joshkamm opened on Nov 5, 2024
  

• Add cmake test of compilation and basic usage

  ZimmermanGroup/SlaterGPU#5 · Filter by author joshkamm opened on Jul 3, 2024