Running LAMMPS with LATTE

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1

Hello,

I am having trouble running LAMMPS with LATTE. I installed everything in serial mode. Here are the steps I followed:

  1. Unpacked LATTE in ~/lib/latte so that path to LATTE is ~/lib/latte/LATTE-master.

  2. Built LATTE via make in ~/lib/latte/LATTE-master.

  3. Created the 3 soft links in ~/lib/latte. Copied Makefile.lammps.serial to Makefile.lammps.

  4. Built linalg in ~/lib/linalg via make -f Makefile.serial.

  5. In ~lammps/src, typed make yes-latte.

  6. In ~lammps/src, typed make serial.

There were no compilation errors. However, when I try to run the water example in ~/lib/latte/LATTE-master/examples/lammps/water, I get the following error:

ERROR: Unknown atom style (…/atom.cpp:496)

Last command: atom_style full

I ran the example using the command ~/lammps/src/lmp_serial < in.min. I also coped latte.fullscf.in to latte.in to run qmd with full SCF.

Any help regarding this issue is appreciated!

Thank you,

2

Hello,

I am having trouble running LAMMPS with LATTE. I installed everything in
serial mode. Here are the steps I followed:

1. Unpacked LATTE in ~/lib/latte so that path to LATTE is
~/lib/latte/LATTE-master.

2. Built LATTE via make in ~/lib/latte/LATTE-master.

3. Created the 3 soft links in ~/lib/latte. Copied Makefile.lammps.serial
to Makefile.lammps.

4. Built linalg in ~/lib/linalg via make -f Makefile.serial.

5. In ~lammps/src, typed make yes-latte.

6. In ~lammps/src, typed make serial.

There were no compilation errors. However, when I try to run the water
example in ~/lib/latte/LATTE-master/examples/lammps/water, I get the
following error:

ERROR: Unknown atom style (../atom.cpp:496)
Last command: atom_style full

I ran the example using the command ~/lammps/src/lmp_serial < in.min. I
also coped latte.fullscf.in to latte.in to run qmd with full SCF.

Any help regarding this issue is appreciated!

​sarah,​

please note that ​LAMMPS already tells you, that the problem happens with
the command "atom_style full".
so please have a look at the documentation for the atom_style command:
http://lammps.sandia.gov/doc/atom_style.html
and particularly check under the "Restrictions" section. this should give
you the crucial hint so you can figure out what you what you need to do to
make this input work.

axel.