[gmx-developers] SEGV in pd code 4.0.7

[Berk Hess]

Hi,

I fixed the bug.
This is annoying, since it is with v-rescale T-coupling, which more and
more people are using
and particle decomposition is still required in certain cases.

In git release-4.0 this system triggered another bug in the PD vsite
communication that
I just backported from git master. I also fixed that.

Berk

Carsten Kutzner wrote:
> Hi,
>
> we have an MD system with distance restraints where we get a SEGV when
> running 4.0.7 with particle decomposition. The crash happens in mvdata.c
> in line 222:
> case estLD_RNG:  if (state->nrngi == 1)
> nblock_abc(cr,state->natoms,state->ld_rng); break;
>
> apparently directly in the gmx_bcast the macro expands to.
>
> Shall I file a bugzilla?
>
> Carsten
>
>