[gmx-users] Signal: Floating point exception (8) Signal code: Floating point divide-by-zero (3)

[Mark Abraham]

Hi,

That sounds very much like a bug, but it's hard to say where it comes from.
Can you please open an issue at https://redmine.gromacs.org/ and attach
your .tpr files plus a log file from a failing run and the above stack
trace?

Mark

On Thu, 12 Dec 2019 at 08:37, Dave M <dave.gromax at gmail.com> wrote:

> Hi All,
>
> I am getting errors which I don't understand. I ran a simulation (gromacs
> 2019.4) which completed fine. Then, with exactly the same system and mdp
> files, I ran three repeats with different velocity seeds (so initial
> configuration is same) but each simulation ended incomplete at different
> time steps. My system does not blow or anything like that. Every time am
> getting this error for the repeats with different velocity seeds. Also, if
> I use cpt file to restart the job it ends at the same time step where it
> got killed earlier.
> My command line is:
> gmx_mpi mdrun -deffnm 04-run -rdd 2.0
>
> *** Process received signal ***
>
>  Signal: Floating point exception (8)
>
>  Signal code: Floating point divide-by-zero (3)
>
>  Failing at address: 0x7ff112f22075
>
>  [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x3ef20)[0x7ff11c40cf20]
>
>  [ 1] /lib/x86_64-linux-gnu/libm.so.6(+0x86075)[0x7ff112f22075]
>
>  [ 2]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZSt3logf+0x1d)[0x7ff11d576c10]
>
>  [ 3]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx17GammaDistributionIfEclINS_12ThreeFry2x64ILj64EEEEEfRT_RKNS1_10param_typeE+0x21f)[0x7ff11e1302bf]
>
>  [ 4]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx17GammaDistributionIfEclINS_12ThreeFry2x64ILj64EEEEEfRT_+0x27)[0x7ff11e12fdd7]
>
>  [ 5]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(+0x13cecd1)[0x7ff11e12ecd1]
>
>  [ 6]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(+0x13cee10)[0x7ff11e12ee10]
>
>  [ 7]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_Z15vrescale_tcouplPK10t_inputreclP14gmx_ekindata_tfPd+0x1de)[0x7ff11e12f0a6]
>
>  [ 8]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_Z14update_tcouplelPK10t_inputrecP7t_stateP14gmx_ekindata_tPK9t_extmassPK9t_mdatoms+0x1b3)[0x7ff11e1d6339]
>
>  [ 9]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx10Integrator5do_mdEv+0x43eb)[0x7ff11e286d45]
>
>  [10]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx10Integrator3runEjb+0x1a7)[0x7ff11e280a1b]
>
>  [11]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx8Mdrunner8mdrunnerEv+0x3a69)[0x7ff11e2a79e5]
>
>  [12] gmx_mpi(+0xe37c)[0x55a41da7937c]
>
>  [13]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(+0x64e29f)[0x7ff11d3ae29f]
>
>  [14]
>
> /usr/local/gromacs/gromacs2019_4/lib/libgromacs_mpi.so.4(_ZN3gmx24CommandLineModuleManager3runEiPPc+0x3d6)[0x7ff11d3aff16]
>
>  [15] gmx_mpi(+0xbaa1)[0x55a41da76aa1]
>
>  [16]
> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xe7)[0x7ff11c3efb97]
>
>  [17] gmx_mpi(+0xb91a)[0x55a41da7691a]
>
> Any idea what could be wrong? Suggestions much appreciated.
>
> Thanks.
>
> Dave
> --
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