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add EPYC to KOKKOS_CPU_ARCH_LIST and MAPPING in LAMMPS easyblock #1975

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migueldiascosta
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(created using eb --new-pr)

@migueldiascosta
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for the current version of LAMMPS in easybuilders/easybuild-easyconfigs#9883 and easybuilders/easybuild-easyconfigs#9884, this also requires an easyconfig patch with

* EPYC is supported in kokkos, but is missing from this arch list
--- lammps-stable_7Aug2019/lib/kokkos/cmake/kokkos_options.cmake.orig	2020-02-26 10:22:02.335120843 +0800
+++ lammps-stable_7Aug2019/lib/kokkos/cmake/kokkos_options.cmake	2020-02-26 10:22:53.470621040 +0800
@@ -78,6 +78,7 @@
 list(APPEND KOKKOS_ARCH_LIST
      None            # No architecture optimization
      AMDAVX          # (HOST) AMD chip
+     EPYC	      # (HOST) AMD EPYC Zen-Core CPU
      ARMv80          # (HOST) ARMv8.0 Compatible CPU
      ARMv81          # (HOST) ARMv8.1 Compatible CPU
      ARMv8-ThunderX  # (HOST) ARMv8 Cavium ThunderX CPU

@boegel
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boegel commented Feb 29, 2020

@migueldiascosta Is it worth the trouble to open a pull request to https://github.com/lammps/lammps to add EPYC to KOKKOS_ARCH_LIST?

@migueldiascosta
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verified that the LAMMPS version in easybuilders/easybuild-easyconfigs#10191 no longer requires the patch above in order to build on EPYC, only this PR

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@akesandgren akesandgren left a comment

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LGTM

@akesandgren
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Going in, thanks @migueldiascosta!

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4 participants