[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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