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VASP: Add reframe config #175

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VASP: Add reframe config #175

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32 changes: 32 additions & 0 deletions recipes/vasp/v6.4.3/gh200/extra/reframe.yaml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,32 @@
run:
features:
- vasp
- cuda
- mpi
cc: mpicc
cxx: mpic++
ftn: mpifort
views:
- vasp
develop:
features:
- vasp-dev
- cuda
- mpi
cc: mpicc
cxx: mpic++
ftn: mpifort
views:
- develop
modules:
features:
- cuda
- mpi
- vasp-dev
cc: mpicc
cxx: mpic++
ftn: mpifort
views:
- modules
activation:
- module load cmake cray-mpich cuda fftw gcc hdf5 netlib-scalapack ninja nvhpc nvpl-blas nvpl-lapack wannier90
2 changes: 1 addition & 1 deletion recipes/vasp/v6.4.3/gh200/modules.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ modules:
autoload: none
hash_length: 0
exclude_implicits: true
include: ['[email protected]%[email protected]', '[email protected]%[email protected]', '%nvhpc', 'cmake', 'ninja']
include: ['[email protected]%[email protected]', 'nvhpc', '%nvhpc', 'cmake', 'ninja']
exclude: ['%gcc']
projections:
all: '{name}/{version}'