Hi,
I'm having problems getting read_restart to work with the latest
(09-Jan09) version of Lammps.
I'm testing it using the obstacle test case that comes with the code.
In the input file I generate my restarts by adding the following line
just before the run command:
restart 1000 restart.*.%
This gives me 5 files (if I run on 4 procs) including the base file.
I then use the script attached at the end to run the restart.
(Essentially I take out create box, create atoms and the masses, and
add in the read_restart just after this).
With the 21May version this works without any problems. With the Jan09
version I get:
"Failed to allocate 245064 bytes for array neigh:xhold"
This is running on our XT3 under Catamount with the code built with
PGI. There is plenty of memory available (4GB per proc).
Any ideas?
Duncan
# 2d LJ obstacle flow
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.7
region box block 0 40 0 10 -0.25 0.25
#create_box 3 box
#create_atoms 1 box
#mass 1 1.0
#mass 2 1.0
#mass 3 1.0
read_restart restart.*.%
# LJ potentials
pair_style lj/cut 1.12246
pair_coeff * * 1.0 1.0 1.12246
# define groups
region 1 block INF INF INF 1.25 INF INF
group lower region 1
region 2 block INF INF 8.75 INF INF INF
group upper region 2
group boundary union lower upper
group flow subtract all boundary
set group lower type 2
set group upper type 3
# initial velocities
compute mobile flow temp
velocity flow create 1.0 482748 temp mobile
fix 1 all nve
fix 2 flow temp/rescale 200 1.0 1.0 0.02 1.0
fix_modify 2 temp mobile
# Poiselle flow
velocity boundary set 0.0 0.0 0.0
fix 3 lower setforce 0.0 0.0 0.0
fix 4 upper setforce 0.0 NULL 0.0
fix 5 upper aveforce 0.0 -0.5 0.0
fix 6 flow addforce 1.0 0.0 0.0
# 2 obstacles
region void1 sphere 10 4 0 3
delete_atoms region void1
region void2 sphere 20 7 0 3
delete_atoms region void2
fix 7 flow indent 100 sphere 10 4 0 4
fix 8 flow indent 100 sphere 20 7 0 4
fix 9 all enforce2d
# Run
timestep 0.003
thermo 1000
thermo_modify temp mobile
dump 1 all atom 100 dump.obstacle
#dump 1 all custom 100 dump.custom id type x y z vx vy
run 25000
