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| author | Nick Hagerty <85945544+hagertnl@users.noreply.github.com> | 2024-08-27 01:15:12 -0400 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2024-08-27 07:15:12 +0200 |
| commit | 680d1f2e585732c49b8ff3d3dd2f43080b8d5a34 (patch) | |
| tree | d171f8e8cc0e2ba64bafd3a8e81ab351ef4ff26c /share | |
| parent | 76957f19f96a7eca9ce44a80b7209dd8ebd4b87c (diff) | |
| download | spack-680d1f2e585732c49b8ff3d3dd2f43080b8d5a34.tar.gz spack-680d1f2e585732c49b8ff3d3dd2f43080b8d5a34.tar.bz2 spack-680d1f2e585732c49b8ff3d3dd2f43080b8d5a34.tar.xz spack-680d1f2e585732c49b8ff3d3dd2f43080b8d5a34.zip | |
lammps: improve FFT selection and add fft_kokkos variant (#45969)
Diffstat (limited to 'share')
| -rw-r--r-- | share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml index cf6a99a62f..d4282f8efd 100644 --- a/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml +++ b/share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml @@ -26,8 +26,8 @@ packages: lammps: require: - one_of: - - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel ^intel-oneapi-mkl target=x86_64_v4" - - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package ^intel-oneapi-mkl target=x86_64_v3" + - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel fft=mkl ^intel-oneapi-mkl target=x86_64_v4" + - "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package fft=mkl ^intel-oneapi-mkl target=x86_64_v3" when: "%intel" libidn2: require: |