Hi Gromacs Users,<br><br>when I am trying to run the simulation I am getting the following error:<br><br>mpispawn.c:303 Unexpected exit status<br><br>Child exited abnormally!<br>
Killing remote processes...DONE<br><br>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?<br><br>title = bilayer <br>cpp = /lib/cpp<br>include = <br>define = -DFLEXIBLE<br>integrator = md<br>emstep = 0.1<br>
emtol = 10.0<br>nstcgsteep = 10<br>dt = 0.001<br>nsteps = 2000000<br>nstxout = 10000<br>nstvout = 10000<br>nstlog = 10000<br>
nstenergy = 10000<br>nstxtcout = 10000<br>xtc_grps =<br>energygrps =<br>nstlist = 10<br>ns_type = grid<br>pbc = xyz<br>
rlist = 1.0<br>vdw-type = Cut-off<br>rvdw = 1.0<br>coulombtype = PME<br>rcoulomb = 1.0<br>DispCorr = EnerPres<br>fourierspacing = 0.1<br>
pme_order = 6<br>ewald_rtol = 1e-05<br>ewald_geometry = 3d<br>epsilon_surface = 0<br>optimize_fft = yes<br>tcoupl = Berendsen<br>tc_grps = system<br>
tau_t = 1.0 <br>ref_t = 300<br>Pcoupl = Berendsen<br>Pcoupltype = isotropic<br>tau_p = 4.0<br>compressibility = 4.5e-5<br>
ref_p = 1.0<br>gen_vel = yes<br>gen_temp = 300<br>gen_seed = 173529<br>constraints = none <br>constraint_algorithm = lincs<br>lincs_order = 8<br>
lincs_iter = 2<br><br><br>Regards,<br><br>Shivkumar Bale<br>