found WAVECAR, reading the header
number of bands has changed, file: 1584 present: 2232
trying to continue reading WAVECAR, but it might fail
number of k-points has changed, file: 5 present: 9
trying to continue reading WAVECAR, but it might fail
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...
然后任务停掉
原因：k点变化，读取WAVECAR文件可能出错，由于计算核数较少，任务太大，无法计算
解决方法：将核数调多，天河上用两个节点
网友评论