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>