From 097f8a93934e919369aaa0dc1d6627a68babc73a Mon Sep 17 00:00:00 2001 From: Balazs Hajgato Date: Wed, 23 Sep 2020 12:02:12 +0200 Subject: [PATCH] Fix LAMMPS 7Aug2019 for EPYC --- ...LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb | 2 ++ ...AMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb | 2 ++ .../easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch | 12 ++++++++++++ 3 files changed, 16 insertions(+) create mode 100644 easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch diff --git a/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb index f98b92c7821..b380301035a 100644 --- a/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb +++ b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-foss-2019b-Python-3.7.4-kokkos.eb @@ -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' diff --git a/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb index b9a665577ba..35c2a48a208 100644 --- a/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb +++ b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019-intel-2019b-Python-3.7.4-kokkos.eb @@ -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' diff --git a/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch new file mode 100644 index 00000000000..deb804dc944 --- /dev/null +++ b/easybuild/easyconfigs/l/LAMMPS/LAMMPS-7Aug2019_EPYC.patch @@ -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