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Re: [lammps-users] Crash when trying to loop script
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Re: [lammps-users] Crash when trying to loop script


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 5 May 2018 20:25:23 -0400

On Sat, May 5, 2018 at 3:22 PM, Gonçalo Paulo <g-spaulo@...8...> wrote:
> Hi,
>
> I'm not sure if this is lammps problem or a bad mpi build but if I try to
> loop any script it fails with a segmentation fault in every third or fourth
> loop. It goes with no other problem with the other runs but it crashes after
> some tries. To try to find the problem i've even setup a simple script that
> just runs one time after setting up simple stuff and it still crashes, here

works for me with the current LAMMPS master branch (version 20April2018).

axel.

> it is:
>
> "
>
> label loop
>
> variable L      loop  1 10
>
> units lj
> atom_style full
> boundary p p p
> dimension 2
>
> lattice       sq2 1
> region        box block 0 80 0 80 -0.5 0.5
> create_box   2 box
> create_atoms 1 box
> mass       * 1.0
>
> change_box all y final 0 190 units box
> change_box all x final 0 190 units box
> displace_atoms all move 1 1 0 units box
>
> velocity all create 1 1000 dist gaussian mom yes rot yes
>
> # only excluded volume interaction
> pair_style lj/cut 4
> pair_coeff * * 1.0 1.0 1.122
> pair_modify     shift yes
>
> neighbor 1 multi
> neigh_modify delay 0 page 100000
> comm_modify     mode multi
>
> fix   3 all nve
> fix   5 all enforce2d
>
> timestep 0.01
>
> thermo 1000
> thermo_modify flush yes
>
> run    1
> clear
> next L
> jump ../../capillary/in.teste loop
> "
> ../../capillary/in.teste is where the script is located and it gives the
> same error with SAME instead. My input is : mpirun -np 8 ./lmp_mpi -in
> ../../capillary/in.teste and it crashes even if i just do ./lmp_mpi so I'm
> not sure what is causing the problem.
> I can run single runs just fine, any help would be apreciated.
>
> Gonçalo
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.