[gmx-users] p4_error: interrupt SIGSEGV: 11

[Vivek Raut]

Hi, 

I am trying to incorporate Ewald summation in my MD. 

But when I run mdrun, I get following error immidiately after the mdrun
starts.

p0_28582:  p4_error: interrupt SIGSEGV: 11

Why is it so?... & what do I modify to solve it?

PS:

The .mdp file i give as input is as follows:

title               =  letshavefun
cpp                 =  /lib/cpp
constraints         =  all-bonds
coulombtype         =  Ewald
integrator          =  md
dt                  =  0.002	; ps !
nsteps              =  500000	; total 1ns.
nstcomm             =  1
nstxout             =  2500
nstenergy           =  2500
nstvout             =  2500
nstfout             =  2500
nstlog              =  20000
nstlist             =  10
pbc                 =  xyz
ns_type             =  grid
rlist               =  1.7
rcoulomb            =  1.7
rvdw                =  1.7
; Berendsen temperature coupling is on in two groups
Tcoupl              =  berendsen
tau_t               =  0.1      0.1    0.1         0.1    0.1   0.1
tc-grps		    =  COA      HOH    Protein     NA     CL    COM
ref_t               =  300      300    300         300    300   300
; Pressure coupling is not on
Pcoupl              =  no
tau_p               =  0.5
compressibility     =  4.5e-5
ref_p               =  1.0
; Generate velocites is on at 300 K.
gen_vel             =  yes
gen_temp            =  300.0
gen_seed            =  173529
freezegrps          = fix1
freezedim           = y y y


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