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本帖最后由 sciwizard 于 2023-12-5 20:40 编辑
INCAR文件最开始是组里老师给的,我在那个基础上按照我的需要改了一下,默认值那些我百度了一下,觉得没啥影响就没消掉,怕以后还要使用。
nohup.out文件里有这种问题,好像就时您说的内存相关的情况,请问应该如何解决呢?
LDA part: xc-table for Pade appr. of Perdew
WARNING: stress and forces are not correct
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...
WAVECAR not read
charge-density read from file:
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 1837375 RUNNING AT c4111
= KILLED BY SIGNAL: 9 (Killed)
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