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{2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA #1461

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{2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA #1461

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4b6840d
{2025.06}[foss/2024a] LAMMPS 22Jul2025 with CUDA
laraPPr Apr 7, 2026
51fb21c
add missing double point
laraPPr Apr 7, 2026
c8fddd2
add commit for easyblock
laraPPr Apr 8, 2026
07fc2af
Merge branch 'main' into LAMMPS_GPU
laraPPr Apr 28, 2026
457685c
use latest easybuild release
laraPPr Apr 28, 2026
47db9e3
use latest easybuild release
laraPPr Apr 28, 2026
7f0bea3
use update easyblock for ARM builds
laraPPr Jun 29, 2026
0a06b85
use from-pr for testing
laraPPr Jun 29, 2026
6dbb7f5
try from commit with a commit for the LAMMPS and kokkos easyblock
laraPPr Jun 29, 2026
25fa295
use from pr for testing
laraPPr Jun 29, 2026
172c35d
use commit where kokkos was added
laraPPr Jun 30, 2026
8af0c7d
use latest commit that also disables SVE on ARM
laraPPr Jun 30, 2026
eddbca3
Apply suggestion from @laraPPr
laraPPr Jun 30, 2026
269db6d
Need a commit that touches both lamms and kokkos easyblock
laraPPr Jun 30, 2026
6a30df4
set kokkos arch differently
laraPPr Jun 30, 2026
50ef06c
add easyconfig that builds with optarch false on ARM
laraPPr Jul 1, 2026
e417b97
Add more flags in the hope that neon is not picked up
laraPPr Jul 1, 2026
fe6a43c
fix broken commit
laraPPr Jul 1, 2026
aafcb4d
use latest easyblock commit
laraPPr Jul 17, 2026
7995da4
Merge branch 'main' into LAMMPS_GPU
laraPPr Jul 17, 2026
e190417
Still need the update to the config
laraPPr Jul 17, 2026
99a9bf7
use latest commit for easyblock pr for crosscompiling LAMMPS
laraPPr Aug 3, 2026
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11 changes: 10 additions & 1 deletion easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2024a.yml
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Original file line number Diff line number Diff line change
@@ -1,4 +1,13 @@
easyconfigs:
- Siesta-5.4.2-foss-2024a-CUDA-12.6.0.eb:
- Siesta-5.4.2-foss-2024a-CUDA-12.6.0.eb:
options:
from-commit: 6ed961daac38293265e3a952be732ae9244fc01c
- LAMMPS-22Jul2025-foss-2024a-kokkos-CUDA-12.6.0.eb:
# https://github.com/easybuilders/easybuild-easyblocks/pull/4175
options:
# easyblock for working around neon issue
# include-easyblocks-from-commit: bcc86f327b79edd5f06f71c5401a5a7665a39a68
# easyblock for crosscompiling lammp CUDA without device
# https://github.com/easybuilders/easybuild-easyblocks/pull/4190
include-easyblocks-from-commit: 51c17022f27dda8cd7cb449da286e173eddd71c8
from-commit: 25a53e7b94a5b4a344954e334b2a0169da5d2abb
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