[gmx-users] p4_error: interrupt SIGSEGV: 11
Vivek Raut
vraut at CLEMSON.EDU
Fri Apr 16 06:23:01 CEST 2004
>
>
> 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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