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DFTYang新虫 (初入文坛)
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[求助]
请问计算分波态密度时候出现这样的错误是怎么回事？？
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请问在计算分波态密度的时候出现一下这样的错误是怎么回事？？球球了帮帮我吧！！！！ Starting k-point: 1 of 19 on this process |<-- SPEC Error with zgetrf in algor_invert_complex Current trace stack: algor_invert_complex popn_calculate_matrices_kpt popn_calculate_pdos spectral_calculate_dft castep Error with zgetrf in algor_invert_complex Current trace stack: algor_invert_complex popn_calculate_matrices_kpt popn_calculate_pdos spectral_calculate_dft castep Error with zgetrf in algor_invert_complex Current trace stack: algor_invert_complex popn_calculate_matrices_kpt popn_calculate_pdos spectral_calculate_dft castep application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 设置悬赏金币 收录到淘贴专辑 |
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