vasp服务器中断,求助VASP能带计算的中断原因 - 第一原理 - 小木虫 - 学术 科研 互动社区...

我也遇到类似情况，发现服务器内存没有用到多少？是不是并行环境有问题？谢谢！

DA part: xc-table for Pade appr. of Perdew

POSCAR, INCAR and KPOINTS ok, starting setup

WARNING: small aliasing (wrap around) errors must be expected

FFT: planning ...(           1 )

WAVECAR not read

entering main loop

N       E                     dE             d eps       ncg     rms          rms(c)

rank 14 in job 1  node1_56151   caused collective abort of all ranks

exit status of rank 14: killed by signal 9

rank 12 in job 1  node1_56151   caused collective abort of all ranks

exit status of rank 12: killed by signal 9

rank 35 in job 1  node1_56151   caused collective abort of all ranks

exit status of rank 35: killed by signal 9

rank 29 in job 1  node1_56151   caused collective abort of all ranks

exit status of rank 29: killed by signal 9

ran