gromacs中constraints由h-bons转成h-angles或all-angles时总会出现nrank报错？

hosttx

之前计算的体系constraints设置为h-bonds时用并行计算，设置多少并行数都没问题；但现在只要把constraints设置为h-angles或all-angles时并行计算都通不过，而constraints = all-bonds时也只有在限制特定并行数才能通过。错误提示“There is no domain decomposition for xx ranks that is compatible with the given box and a minimum cell size of xx nm”，试过修改lincs参数以及调整并行数都没用，请大神能帮助解决下吗？