求助用GROMACS跑DPPC的模拟报错

418086011

最近用gromacs跑小分子在DPPC上的吸附过程，NVT和NPT都试过了，总是出现Segmentation fault (core dumped)错误，请问该如何解决？
以下是跑NPT时候的报错提示：


WARNING: Using the slow plain C kernels. This should
not happen during routine usage on supported platforms.
starting mdrun 'DPPC+SUL'
300000 steps,    300.0 ps.
step 5100, will finish Fri Feb 26 01:06:22 2021
WARNING: Listed nonbonded interaction between particles 3 and 10
at distance 5.907 which is larger than the table limit 2.265 nm.

This is likely either a 1,4 interaction, or a listed interaction inside
a smaller molecule you are decoupling during a free energy calculation.
Since interactions at distances beyond the table cannot be computed,
they are skipped until they are inside the table limit again. You will
only see this message once, even if it occurs for several interactions.

IMPORTANT: This should not happen in a stable simulation, so there is
probably something wrong with your system. Only change the table-extension
distance in the mdp file if you are really sure that is the reason.

Step 5150  Warning: pressure scaling more than 1%, mu: 1.3006e+13 1.3006e+13 3.99481e+12
Segmentation fault (core dumped)

sobereva

418086011

谢谢sob老师