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qdc19800214木虫 (正式写手)
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[求助]
pw5.4.0 计算电声耦合，出现 Wrong classes for C_3v
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请问我用pwscf 5.4.0计算电声耦合，有的体系好用，有的体系就会出现错误。求指教，谢谢！ 我的ph是这样的：Electron-phonon coefficients for 2ph &inputph tr2_ph=1.0d-14 prefix='2ph', fildvscf='2phdv', amass(1)=12.0107,amass(2)=10.811, outdir='./tmp/', fildyn='2ph.dyn', electron_phonon='interpolated', el_ph_sigma=0.005, trans=.true., ldisp=.true., nq1=4, nq2=4, nq3=4 / 出现的错误提示： %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine divide_class (1): Wrong classes for C_3v %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine divide_class (1): Wrong classes for C_3v %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... rank 5 in job 1 c15b2_54187 caused collective abort of all ranks exit status of rank 5: killed by signal 9 rank 2 in job 1 c15b2_54187 caused collective abort of all ranks exit status of rank 2: killed by signal 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 |
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2楼2016-11-11 23:34:02
qdc19800214
木虫 (正式写手)
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3楼2016-11-12 10:49:54
4楼2016-12-22 09:18:27
qdc19800214
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6楼2018-03-20 22:45:02
qdc19800214
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7楼2018-03-21 14:44:53