标题: 高斯报错 killed by the cgroup out-of-memory handler [打印本页] 作者Author: 〇66 时间: 2024-6-7 09:41 标题: 高斯报错 killed by the cgroup out-of-memory handler 求助各位老师，应该怎么修改输入文件？非常感谢！！！
报错信息：slurmstepd: error: Detected 10 oom-kill event(s) in StepId=9042388.batch. Some of your processes may have been killed by the cgroup out-of-memory handler.
关键词：
%nprocshared=64
%mem=96GB
%chk=***.chk
# opt freq scrf=(smd,solvent=water) m062x tzvp