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EPCCed / spack-epcc-20241106

Spack configs and repos for EPCC machine.
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Performance test with lammps #8

Open lucaparisi91 opened 2 weeks ago

lucaparisi91 commented 2 weeks ago

Andy saw comparable performance with Gromacs. I tink I saw very different performances with lammps. Useful to figure out where the performance difference comes from.

lucaparisi91 commented 1 week ago

Andy noted Gromacs performance was comptaible between spack and hand built.