(no subject)

Hi all

I compiled LAMMPS but when I want to run peptide example I have the following error. but when I run examples without space style as “shear” I can run in parallel on our cluster. would you please help me?I want to run on two nodes of cluster each of the has 4 cores.

LAMMPS (16 Dec 2010)
3 = max bonds/atom
LAMMPS (16 Dec 2010)
6 = max angles/atom
14 = max dihedrals/atom
1 = max impropers/atom
Reading data file …
orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
1 by 1 by 1 processor grid
2004 atoms
2004 velocities
1365 bonds
786 angles
207 dihedrals
12 impropers
Finding 1-2 1-3 1-4 neighbors …
4 = max # of 1-2 neighbors
7 = max # of 1-3 neighbors
14 = max # of 1-4 neighbors
18 = max # of special neighbors
Finding SHAKE clusters …
19 = # of size 2 clusters
6 = # of size 3 clusters
3 = # of size 4 clusters
640 = # of frozen angles
84 atoms in group peptide
PPPM initialization …
G vector = 0.268721
grid = 15 15 15
stencil order = 5
RMS precision = 4.86052e-05
brick FFT buffer size/proc = 10648 3375 5808
Setting up run …
mpirun noticed that job rank 0 with PID 1932 on node 1 exited on signal 11 (Segmentation fault).
13 additional processes aborted (not shown)

Would you please help me to remove the segmentation fault.

Thanks alot

Regards

Elena

Hi all

I compiled LAMMPS but when I want to run peptide example I have the
following error. but when I run examples without space style as "shear" I
can run in parallel on our cluster. would you please help me?I want to run
on two nodes of cluster each of the has 4 cores.

LAMMPS (16 Dec 2010)
3 = max bonds/atom
LAMMPS (16 Dec 2010)
6 = max angles/atom
14 = max dihedrals/atom
1 = max impropers/atom
Reading data file ...
orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
1 by 1 by 1 processor grid
2004 atoms
2004 velocities
1365 bonds
786 angles
207 dihedrals
12 impropers
Finding 1-2 1-3 1-4 neighbors ...
4 = max # of 1-2 neighbors
7 = max # of 1-3 neighbors
14 = max # of 1-4 neighbors
18 = max # of special neighbors
Finding SHAKE clusters ...
19 = # of size 2 clusters
6 = # of size 3 clusters
3 = # of size 4 clusters
640 = # of frozen angles
84 atoms in group peptide
PPPM initialization ...
G vector = 0.268721
grid = 15 15 15
stencil order = 5
RMS precision = 4.86052e-05
brick FFT buffer size/proc = 10648 3375 5808
Setting up run ...
mpirun noticed that job rank 0 with PID 1932 on node 1 exited on signal 11
(Segmentation fault).
13 additional processes aborted (not shown)

Would you please help me to remove the segmentation fault.

that is near impossible without having first hand knowledge of
how you compiled/installed lammps and what platform you are on.

there are many potential reasons for segmentation faults.

axel