[gmx-developers] Segfault during EM in recent git version

[Berk Hess]

Jochen Hub wrote:
>
> Yes, I have finite cut-offs:
>
> coulombtype              = Cut-off
> rcoulomb-switch          = 0
> rcoulomb                 = 1
>
> vdw-type                 = Cut-off
> ; cut-off lengths      rvdw-switch              = 0
> rvdw                     = 1
>
> and
>
> pbc                      = xyz
>
> I just tried with PME and vdw-type = Shift and Switch, same result.
> With vdw Switch I also get Segfault (but this time after a few lincs
> warnigs) with the 405 from a few weeks ago, so I somehow feel that
> this is the same problem. Running in gdb yields a segfault
> immediately, with asimilar error in the nb-kernel:
>
> Program received signal EXC_BAD_INSTRUCTION, Illegal instruction/operand.
> 0x005cc6d5 in nb_kernel_ia32_3dnow_test_asm ()
>
> Cheers,
> Jochen

Could you file a bugzilla?
Please include all input files to grompp and also add the log file for
the problematic run.
Is this a completely standard serial (non-parallel) simulation?

Berk