VASP提交后出现如下报错: 解决方法: 通过降低K点操作后可以正常计算 原因猜测: 较大的K点选取导致计算量激增,超过当前所用核数的计算能力承载范围,导致程序崩溃被终止
床淮砝从惺裁创砦螅呛牵芄飧觯琹z试试 没有外压的 SYSTEM=Fe PREC=Medium ISTART = 0 I...
计算能带出现“APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)” 第一性原理 Vasp&MedeA 小木虫 论坛
(/usr/lib/systemd/system/samba.service; disabled; vendor preset: disabled) Active: failed (Result: timeout) since 五 2018-05-18 12:16:18 CST; 5min ago Docs: man:samba(8) man:samba(7) man:smb.conf(5) Main PID: 19323 (code=killed, signal=TERM) 5月 18 12:14:38 QTZZ systemd[...
(/usr/lib/systemd/system/samba.service; disabled; vendor preset: disabled) Active: failed (Result: timeout) since 五 2018-05-18 12:16:18 CST; 5min ago Docs: man:samba(8) man:samba(7) man:smb.conf(5) Main PID: 19323 (code=killed, signal=TERM) 5月 18 12:14:38 QTZZ systemd[...
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9) 请各位帮我看看问题是出在哪里。谢谢。 incar文件如下: PREC = Medium ISTART = 1 ICHARG = 11 ISPIN = 2 ENCUT = 400.0 ISMEAR = 1 SIGMA = 0.2 NELM = 500 NELMIN = 5 NELMDL = -8 EDIFF = 1E-4 IALGO = 48...