[lammps-users] serial LAMMPS not responding...

Dear all,

I would be grateful if somebody could help me to understand what is happening:

I am working in Ubuntu and have serial lammps, however, I have now increased the size of my chain to 26800 atoms, and my simulation does not work at all: no warnings, no error messages... I am worried about this -- has anybody experienced this problem before?

Thank you for your time and attention,
Anna

Dear all,

dear anna,

I would be grateful if somebody could help me to understand what is
happening:

I am working in Ubuntu and have serial lammps, however, I have now
increased the size of my chain to 26800 atoms, and my simulation does
not work at all: no warnings, no error messages... I am worried about
this -- has anybody experienced this problem before?

have you checked with the "top" program whether your
lammps executable is actually using CPU time?
it would also show you, if there is something else
occupying your CPU.

also, does a smaller input still work?

cheers,
    axel.

Dear Dr Axel,

Thank You very much for Your reply! I checked CPU -- no, Lammps does not occupy it... And also, strangely, the shorten chains do not seem to work either. I have a my data and an input files and when I run them as I did before, I just get a blank page instead of my data file... This has never happened to me before!

With best wishes,
Anna

Dear Dr Axel,

Thank You very much for Your reply! I checked CPU -- no, Lammps does not
occupy it... And also, strangely, the shorten chains do not seem to work
either. I have a my data and an input files and when I run them as I did
before, I just get a blank page instead of my data file... This has never
happened to me before!

what do you mean by "blank page"?

if lammps does not occupy the CPU then something is wrong,
and it is very likely not LAMMPS' fault.

you should run lammps as follows:

/path/to/lammps/src/lmp_serial -echo both -log none -in in.myinput

then you should be able to see at which step of your input script
something goes wrong.

axel.

Dear Dr Axel,

Thank You very much, I did it and the message is strange: there is no lammps command in the data file. Also for the input file, it complains about the first line "lammps input file" that has always been there before...

al -echo both -log none -in /home/s0793217/Desktop/Persistence\ length\ examples\ 100N/bead_spring.lam.ex2.100N.0
LAMMPS (18 Dec 2010)
ERROR: Unknown command: LAMMPS (18 Dec 2010)

Oh Lammps, my poor Lammps, what is wrong with it?

SIncerely Yours,
Anna

Dear Dr Axel,

Thank You very much, I did it and the message is strange: there is no lammps
command in the data file. Also for the input file, it complains about the
first line "lammps input file" that has always been there before...

al -echo both -log none -in /home/s0793217/Desktop/Persistence\ length\
examples\ 100N/bead_spring.lam.ex2.100N.0
LAMMPS (18 Dec 2010)
LAMMPS (18 Dec 2010)
ERROR: Unknown command: LAMMPS (18 Dec 2010)

Oh Lammps, my poor Lammps, what is wrong with it?

it looks to me as if you are trying to run an output as input.

perhaps some time earlier you have accidentally used
-log where you wanted to use -in.
or you made a mistake copying files.

axel.

Dear Dr Axel,

Thank You very much for Your e-mail! I have now tried everything, and even examples, and the same problem occurs when I do them... I have not touched folders and never used -log instead of -in... Do You think it is better to re-install lammps?

Thank You very much!

Sincerely Yours,
Anna

Dear Dr Axel,

Thank You very much for Your e-mail! I have now tried everything, and even
examples, and the same problem occurs when I do them... I have not touched
folders and never used -log instead of -in... Do You think it is better to
re-install lammps?

please show us the first few lines of the file:

/home/s0793217/Desktop/Persistence\ length\ examples\
100N/bead_spring.lam.ex2.100N.0

the "input file" that you are using is not correct.

axel.

Dear Dr Axel,

This is how this looks initially in my gedit editor. However., after I do this as usual:

  lmp_ubuntu_serial > bead_spring.lam.ex2.100N.0

and look at the page with the text in gedit, everything is gone!

Thank you very much!

Sincerely Yours,
Anna