lammps experiment.py #446
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lammps experiment.py #446
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pearce8
reviewed
Nov 27, 2024
| @@ -9,10 +9,22 @@ | |||
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| class Lammps(BuiltinLammps): | |||
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| depends_on("kokkos+openmp", when="+openmp") | |||
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Is this not in the upstreamed package? Did ORNL not need this?
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I think there is a standalone openmp mode in lammps where we disable the kokkos pacakge and just enable the openmp one (~kokkkos+openmp-package) With this spack spec, we always enable kokkos with the desired backend (+kossos+openmp)
We can ask ORNL which one of +kokkos+openmp or +openmp-package+openmp is preferable.
pearce8
reviewed
Nov 27, 2024
| @@ -20,8 +20,8 @@ compilers: | |||
| modules: [] | |||
| environment: | |||
| prepend_path: | |||
| LD_LIBRARY_PATH: /opt/cray/pe/cce/16.0.0/cce/x86_64/lib | |||
| extra_rpaths: [/opt/cray/pe/cce/16.0.0/cce/x86_64/lib/, /opt/cray/pe/gcc-libs/] | |||
| LD_LIBRARY_PATH: "/opt/cray/pe/cce/16.0.0/cce/x86_64/lib:/opt/rocm-5.5.1/lib" | |||
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So this works on both the static and dynamic tioga?
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I will not work on static tioga. I'll need to add the LD_LIBRARY_PATH
pearce8
requested changes
Nov 27, 2024
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