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Commit a8aad1cc authored by Nicolas Richart's avatar Nicolas Richart
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Merge branch 'packages/namd' into 'main'

Added namd@3.0.1 to stack (gpu-only)

See merge request !25
parents 471b40f1 79c1d4b6
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1 merge request!25Added namd@3.0.1 to stack (gpu-only)
Pipeline #245092 passed
......@@ -4,6 +4,7 @@ definitions:
- cuda_serial_codes:
- cuda
- cudnn
- namd@3.0.1 ^fftw ~mpi
- nccl
- cuda_mpi_codes:
......
......@@ -16,6 +16,9 @@ packages:
amber:
require: ['+nccl']
charmpp:
require: ['+smp', '~cuda']
cuda:
prefer:
- spec: "^gcc-runtime@{gcc_version} target={target}"
......@@ -45,6 +48,9 @@ packages:
libxc:
require: ['+cuda', 'cuda_arch={cuda_arch}']
namd:
require: ['+cuda', '+single_node_gpu', 'cuda_arch={cuda_arch}']
nvshmem:
require:
- spec: '+cuda cuda_arch={cuda_arch} +nccl +ucx +mpi'
......
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