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Merge branch 'it4i-barbora'

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This commit is contained in:
Lukas Krupcik 2023-04-24 14:11:30 +02:00
commit 7fa7ede8a4
1 changed files with 3 additions and 1 deletions
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q/QuantumESPRESSO/QuantumESPRESSO-7.1-intel-2022a-thermo_pw-GPU.eb
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@ -16,8 +16,10 @@ toolchain = {'name': 'intel', 'version': '2022a'}
import os
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
toolchainopts = {'usempi': True, 'openmp': True, 'optarch': 'march=core-avx2', 'opt': 'O3'}
local_cuda="12.0.0"
else:
toolchainopts = {'usempi': True, 'openmp': True, 'opt': 'O3'}
local_cuda="11.7.0"
source_urls = [
'https://gitlab.com/QEF/q-e/-/archive/qe-%(version)s',
@ -53,7 +55,7 @@ dependencies = [
('HDF5', '1.12.2'),
('ELPA', '2021.11.001'),
('libxc', '5.2.3'),
('CUDA', '12.0.0', '', True)
('CUDA', local_cuda, '', True)
]
# The third party packages should be installed separately and added as