Comments (5)
mzjb
commented on August 28, 2024
Please post the ini configuration file for deeph-inference.
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peiyuan-NTU
commented on August 28, 2024
[basic]
work_dir = /home/peiyuan/test_deeph/pred_result
olp_dir = /home/peiyuan/test_deeph/data2
interface = openmx
trained_model_dir = ["/home/peiyuan/test_deeph/model"]
task = [1, 2, 3, 4, 5]
sparse_calc_config = /home/peiyuan/DeepH-pack/deeph/inference/band_config.json
dense_calc = True
disable_cuda = True
#device = cpu
device = cuda:0
huge_structure = True
restore_blocks_py = True
gen_rc_idx = False
gen_rc_by_idx =
with_grad = False
[interpreter]
julia_interpreter = julia
[graph]
radius = -1.0
create_from_dft = True
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mzjb
commented on August 28, 2024
How much memory does your computer have?
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peiyuan-NTU
commented on August 28, 2024
64G
Does it need larger memory?
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mzjb
commented on August 28, 2024
I haven't counted how much memory is needed to predict the Hamiltonian of MATBG. I can run it normally on a computing node with 96GB memory.
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Related Issues (20)
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