[gmx-users] Segmentation fault (core dumped)

[Ishwor Poudyal]

		Dear all

I want to study the diffusion coeffcient of CO in water.  I have done the energy minimization step and got the problem segmentation fault during Equilibration. I am confused whether my input file has 
got some error or the error is in the processing machine.I have made the
 following .mdp file

;

;PREPROCESSING parameters

cpp                 =  /lib/cpp

define              =  -DFLEX_SPCE

integrator          =  md

dt		    =.002

nsteps              = 25000000

nstcomm		    = 1


;OUPUT CONTROL parameters.

nstxout             =  250

nstvout             =  1000

nstfout             =  0

nstlog              =  100

nstenergy           =  100

energygrps	    =  system

;NEIGHBOUR SEARCHING parameters.

nstlist             =  10

ns_type             =  grid

rlist               =  1.0            

;ELECTROSTATIC and VdW parameters.

rcoulomb            =  1.0

rvdw                =  1.0

epsilon-r           =  1           

;BERENDSEN TEMPERATURE COUPLING is on in two groups

Tcoupl              =  berendsen

tc-grps		    =  system

tau_t               =  0.01	

ref_t               =  300	

;PRESSURE COUPLING is on

Pcoupl              =  berendsen

tau_p               =  0.1  

compressibility     =  4.6e-5

ref_p               =  1.0

;SIMULATED ANNEALING parameters are not specified.

;GENERATE VELOCITIES is on at 300 K.

gen_vel             =  yes;     ; generate initially

gen_temp            =  300

gen_seed            =  173259   ;give different values for different trials.

;BONDS parameters

pbc		    = xyz		; 3-D PBC

constraints         = all-bonds

constraint-algorithm = shake

unconstrained-start  = no

 The box size is 2.1 nm.

I got no information then Segmentation default.It says nothing regarding the input . I will be pleased if you provide me some suggestions.

Ishwor Poudyal

TU Nepal