Adding lammps #107
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Adding lammps #107
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pearce8
commented
Jan 9, 2024
pearce8
commented
- experiment specification
- additional tags
rfhaque
reviewed
Jun 19, 2024
experiments/lammps/rocm/ramble.yaml
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| env_vars: | ||
| set: | ||
| LD_LIBRARY_PATH: '/opt/cray/pe/cce/16.0.0/cce/x86_64/lib:$LD_LIBRARY_PATH' | ||
| MPICH_GPU_SUPPORT_ENABLED: 0 |
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@pearce8 @scheibelp The code works on tioga, but I could not get around having to hard code LD_LIBRARY_PATH and MPICH_GPU_SUPPORT_ENABLED directly in ramble.yaml. Is it ok if we merge the PR right now and tackle this issue in a separate PR?
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@pearce8 @scheibelp This PR works on tioga. I was able to pass the runtime environment variables using package.py. We do not need any platform-specific variables in ramble.yaml |
rfhaque
reviewed
Jun 20, 2024
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