[gmx-users] mpispawn.c:303 Unexpected exit status

[shivkumar bale]

Hi Gromacs Users,

when I am trying to run the simulation I am getting the following error:

mpispawn.c:303 Unexpected exit status

Child exited abnormally!
Killing remote processes...DONE

I read about this online and it says that simulation is running out of
memory and it depends upon the grid spacing. It also talks about PP/PME
ratio. But I am not able to figure how to make that changes in the mdp file?

title                    = bilayer
cpp                      = /lib/cpp
include                  =
define                   = -DFLEXIBLE
integrator               = md
emstep             = 0.1
emtol             = 10.0
nstcgsteep         = 10
dt                       = 0.001
nsteps                   = 2000000
nstxout                  = 10000
nstvout                  = 10000
nstlog                   = 10000
nstenergy                = 10000
nstxtcout                = 10000
xtc_grps                 =
energygrps               =
nstlist                  = 10
ns_type                  = grid
pbc                      = xyz
rlist                    = 1.0
vdw-type                 = Cut-off
rvdw                     = 1.0
coulombtype              = PME
rcoulomb                 = 1.0
DispCorr                 = EnerPres
fourierspacing           = 0.1
pme_order                = 6
ewald_rtol               = 1e-05
ewald_geometry           = 3d
epsilon_surface          = 0
optimize_fft             = yes
tcoupl                   = Berendsen
tc_grps                  = system
tau_t                    = 1.0
ref_t                    = 300
Pcoupl                   = Berendsen
Pcoupltype               = isotropic
tau_p                    = 4.0
compressibility          = 4.5e-5
ref_p                    = 1.0
gen_vel                  = yes
gen_temp                 = 300
gen_seed                 = 173529
constraints              = none
constraint_algorithm     = lincs
lincs_order              = 8
lincs_iter               = 2


Regards,

Shivkumar Bale
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