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

[Dave M]

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