计算化学公社»论坛首页 › 理论与计算化学 (Theoretical and Computational Chemistry) › 分子模拟 (Molecular Modeling) › amber18 运行过程中出现Note: The following floating-p ...

amber18 运行过程中出现Note: The following floating-point .....

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waynett

发布时间: 2021-5-18 11:12

正文摘要:

amber18 (gcc 5.4 gfortran 5.4 cuda 8.0 python 3.6.13)运行出现以下这个状况 Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL 不知道是不是异常 ...

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student0618 发表于 Post on 2025-9-16 21:12:01

那年冬天风在吹发表于 2025-9-16 20:45
请问会不会有影响？

正常output没影响

那年冬天风在吹 发表于 Post on 2025-9-16 20:45:54

请问会不会有影响？

rpestana94 发表于 Post on 2021-5-19 04:38:21

Is not an abnormal behaviour and in some cases are actually expected, here are some explanation:
https://stackoverflow.com/questi ... ormal-in-fortran-77
http://archive.ambermd.org/201804/0130.html

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