四点水模型是否支持update gpu？

elloit

在用opc/tip4p水模型做蛋白质MD的时候，使用-update gpu遇到报错，

Inconsistency in user input:
Update task on the GPU was required,
but the following condition(s) were not satisfied:
Virtual sites are not supported.

我gromacs版本是2024.1，大概是现在还不支持Virtual sites放到GPU上update，
但是看手册上的介绍又很迷惑

To completely avoid communication for constraints and/or to have the update run on a GPU, the system needs to support so-called “update groups” (or no constraints at all). Update groups are supported when all atoms involved in coupled constraints are coupled directly to one central atom and consecutively ordered, not interdispersed with non-constrained atoms. An example is a compactly described methyl group. For atomistic force fields with constraints = h-bonds this means in practice that in the topology hydrogens come adjacent to their connected heavy atom. In addition, when virtual sites are present, the constructing atoms should all be constrained together and the virtual site and constructing atoms should be consecutive, but the order does not matter. The TIP4P water model is an example of this. Whether or not update groups are used is noted in the log file. When they cannot be used, the reason for disabling them is also noted.

举了个TIP4P的例子，看似能支持gpu update，但实际运行还是报错说虚拟点不支持，所以"TIP4P water model is an example"这个example指的是反例吗，意思是用TIP4P确实不能使用-update gpu吗？

Liota

我用的是SOB老师编译的2020.6-WINDOWS-GPU版本，可以四点水模型结合UPDATE GPU