[gmx-users] segmentation fault after mdrun

[Nikit sharan]

Dear justin,

As you suggested i have changed the coloumb type to PME and set
pme_order to 5 as  said in the mailing list as it will increase the
accuracy.But then the simulation is not getting completed.Its taking
hours together.Normally what's the running time for a lipid bilayer?I
dint find anything wrong with the topology as it is downloaded from
tielman's website.it is also well equilibriated.Kindly give me your
suggestions.My mdp.file is below:


title                    = Yo
cpp                      = cpp
include                  =
define                   =
integrator               = md
tinit                    = 0
dt                       = 0.005
nsteps                   = 50000
init_step                = 0
comm-mode                = Linear
nstcomm                  = 1
comm-grps                = system
nstxout                  = 200
nstvout                  = 0
nstfout                  = 0
nstcheckpoint            = 1000
nstlog                   = 100
nstenergy                = 100
nstxtcout                = 1000
xtc-precision            = 1000
nstlist                  = 10
ns_type                  = grid
pbc                      = xyz
rlist                    = 1.0
domain-decomposition     = no
coulombtype              = PME
rcoulomb-switch          = 0
rcoulomb                 = 1.0
epsilon-r                = 1
vdw-type                 = Cut-off
rvdw-switch              = 0
rvdw                     = 1.0
DispCorr                 = EnerPres
table-extension          = 1
fourierspacing           = 0.12
Pcoupl                   = berendsen
Pcoupltype               = semiisotropic
tau_p                    = 0.5 0.5 0.5
compressibility          = 4.5e-5 4.5e-5 4.5e-5
ref_p                    = 1.0 1.0 1.0
andersen_seed            = 815131