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add patch to fix installation of LAMMPS 7Aug2019 on AMD Epyc systems #11334

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Merged
boegel merged 1 commit into from
Sep 24, 2020
Merged

add patch to fix installation of LAMMPS 7Aug2019 on AMD Epyc systems #11334

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2 changes: 2 additions & 0 deletions easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -25,9 +25,11 @@ sources = [
'stable_%(version)s.tar.gz',
{'filename': 'lammps_vs_yaff_test_single_point_energy.py', 'extract_cmd': "cp %s %(builddir)s"},
]
patches = ['%(name)s-%(version)s_EPYC.patch']
checksums = [
'5380c1689a93d7922e3d65d9c186401d429878bb3cbe9a692580d3470d6a253f', # stable_7Aug2019.tar.gz
'c28fa5a1ea9608e4fd8686937be501c3bed8cc03ce1956f1cf0a1efce2c75349', # lammps_vs_yaff_test_single_point_energy.py
'5cc5d2498f45d46569eb325aea5c217867f1afd95ee833fd0139f22e80431b86', # LAMMPS-7Aug2019_EPYC.patch
]

local_source_dir_name = '%(namelower)s-%(version)s'
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2 changes: 2 additions & 0 deletions easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb
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Original file line number Diff line number Diff line change
Expand Up @@ -25,9 +25,11 @@ sources = [
'stable_%(version)s.tar.gz',
{'filename': 'lammps_vs_yaff_test_single_point_energy.py', 'extract_cmd': "cp %s %(builddir)s"},
]
patches = ['%(name)s-%(version)s_EPYC.patch']
checksums = [
'5380c1689a93d7922e3d65d9c186401d429878bb3cbe9a692580d3470d6a253f', # stable_7Aug2019.tar.gz
'c28fa5a1ea9608e4fd8686937be501c3bed8cc03ce1956f1cf0a1efce2c75349', # lammps_vs_yaff_test_single_point_energy.py
'5cc5d2498f45d46569eb325aea5c217867f1afd95ee833fd0139f22e80431b86', # LAMMPS-7Aug2019_EPYC.patch
]

local_source_dir_name = '%(namelower)s-%(version)s'
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12 changes: 12 additions & 0 deletions easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch
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Original file line number Diff line number Diff line change
@@ -0,0 +1,12 @@
# see https://github.com/easybuilders/easybuild-easyblocks/pull/1975#issuecomment-591218724
diff -ru lammps-stable_7Aug2019.org/lib/kokkos/cmake/kokkos_options.cmake lammps-stable_7Aug2019/lib/kokkos/cmake/kokkos_options.cmake
--- lammps-stable_7Aug2019.org/lib/kokkos/cmake/kokkos_options.cmake 2019-08-06 17:17:40.000000000 +0200
+++ lammps-stable_7Aug2019/lib/kokkos/cmake/kokkos_options.cmake 2020-09-23 11:24:09.301136347 +0200
@@ -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