[gmx-users] Error of g_rms

[Mark Abraham]

> Hi All,
> I am analysing my results of simulation of protein, the following error
> comes, I don't know about the reason.Please guide me.
> Program g_rms, VERSION 3.3.1
> Source code file: smalloc.c, line: 113
>
> Fatal error:
> calloc for atomtypes->radius (nelem=2028871473, elsize=4, file tpxio.c,
> line 1017)

An error report is of no value unless you tell people what you were trying
to do, i.e. command line plus details about the system you were trying to
work with. Otherwise it it as worthless as my perennial analogy of phoning
the car mechanic to say "My car doesn't work". He'll shrug and tell you to
bring it in and charge you $100 for the privilege.

It is always worth taking a step back from something you don't understand
and trying to anticipate what someone else will want to know.

The above means you ran out of memory - i.e. tried to do a calculation for
which you didn't have the available memory.

Mark