structure edit.pdb
number 1
inside box 0. 0. 0. 60. 60. 60.
end structure
structure jz1.pdb
number 1455
inside box 0. 0. 0. 60. 60. 60.
end structure
structure water.pdb
number 446
inside box 0. 0. 0. 60. 60. 60.
end structure
Fatal error:
step 128075: The domain decomposition grid has shifted too much in the
Z-direction around cell 3 0 2. This should not have happened. Running with
fewer ranks might avoid this issue.
作者Author: yinzi 时间: 2020-6-27 14:16 标题: 求助gromacs npt问题（domain decomposition grid has shifted too much...） 在进行npt时会出现以下error，后续尝试了-rdd 1.4.但是依旧会出现，请问这是什么原因？
Fatal error:
step 103150: The domain decomposition grid has shifted too much in the
Z-direction around cell 3 0 2. This should not have happened. Running with
fewer ranks might avoid this issue.