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[PATCH] fixed a missing mpi.reduce_all in spaghetti function from sumk_dft_tools
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@ -377,6 +377,11 @@ class SumkDFTTools(SumkDFT):
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for sp in spn:
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Akw[sp][ish,ik,iom] = G_loc[sp].data[iom,ish,ish].imag/(-1.0*numpy.pi)
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# Collect data from mpi
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for sp in spn:
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Akw[sp] = mpi.all_reduce(mpi.world, Akw[sp], lambda x,y : x+y)
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mpi.barrier()
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if save_to_file and mpi.is_master_node():
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if ishell is None:
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for sp in spn: # loop over GF blocs:
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