This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 31 processors
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 31
104942 MiB available memory on the printing compute node when the environment starts
Waiting for input...
Reading input from standard input
Warning: card &CELL ignored
Warning: card PRESS_CONV_THR=0.1 , ignored
Warning: card / ignored
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 4
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Error in routine set_dft_from_name (1):
conflicting values for igcx
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stopping ...
Abort(1) on node 13 (rank 13 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13
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Error in routine set_dft_from_name (1):
conflicting values for igcx
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stopping ...
Abort(1) on node 8 (rank 8 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8
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Error in routine set_dft_from_name (1):
conflicting values for igcx
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stopping ...
Abort(1) on node 9 (rank 9 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9
不知道是哪个参数设置的有问题,麻烦老师帮忙看一下,是否有解决的办法,非常感谢!