Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

gromacs spack concretization error on rzvernal #487

Closed
rfhaque opened this issue Dec 10, 2024 · 2 comments · Fixed by #579
Closed

gromacs spack concretization error on rzvernal #487

rfhaque opened this issue Dec 10, 2024 · 2 comments · Fixed by #579
Assignees
Labels
bug Something isn't working

Comments

@rfhaque
Copy link
Collaborator

rfhaque commented Dec 10, 2024

gromacs throws a spack concretizer error on rzvernal. The exact same configuration works on tioga. The issue affects both the rocm and openmp builds on rzvernal

==> Error: concretization failed for the following reasons:

   1. Cannot set the required compiler: gromacs%cce
   2. Attempted to use external for 'cray-mpich' which does not satisfy any configured external spec
   3. Attempted to build package cray-mpich which is not buildable and does not have a satisfying external
        attr('variant_value', 'cray-mpich', 'gtl', 'True') is an external constraint for cray-mpich which was not satisfied
   4. Attempted to build package cray-mpich which is not buildable and does not have a satisfying external
        attr('node_compiler_version_satisfies', 'cray-mpich', 'cce', '16.0.0') is an external constraint for cray-mpich which was not satisfied
   5. Attempted to build package cray-mpich which is not buildable and does not have a satisfying external
        attr('node_compiler', 'cray-mpich', 'cce') is an external constraint for cray-mpich which was not satisfied. You could consider setting `concretizer:unify` to `when_possible` or `false` to allow multiple versions of some packages.
==> Error: Command exited with status 1:

To reproduce:

  1. get the feature/gromacs branch
  2. initialize the system: bin/benchpark system init --dest=rzvernal llnl-elcapitan rocm=5.5.1 compiler=cce +gtl lapack=intel-oneapi-mkl blas=intel-oneapi-mkl
  3. initialize gromacs: bin/benchpark experiment init --dest ./gromacs-rocm gromacs +openmp+rocm~cuda gpu-aware-mpi=force
  4. benchpark setup: bin/benchpark setup gromacs-rocm rzvernal <workspace_dir>
  5. . <workspace_dir>/setup.sh
  6. ramble --disable-progress-bar --workspace-dir <workspace_dir>/gromacs-rocm/LlnlElcapitan-6e1a6ba/workspace workspace setup
@pearce8 pearce8 added the bug Something isn't working label Dec 17, 2024
@pearce8
Copy link
Collaborator

pearce8 commented Jan 26, 2025

@rfhaque please re-test now that #572 has been merged.

@rfhaque
Copy link
Collaborator Author

rfhaque commented Jan 26, 2025

@rfhaque please re-test now that #572 has been merged.

I'm getting the same error on rzvernal

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
bug Something isn't working
Projects
None yet
Development

Successfully merging a pull request may close this issue.

3 participants