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Re: [lammps-users] Running LAMMPS with LATTE
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Re: [lammps-users] Running LAMMPS with LATTE


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 14 May 2018 20:53:17 -0400



On Mon, May 14, 2018 at 7:39 PM, Sarah Allec <salle008@...3731...> wrote:
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.
 

Thank you,
Sarah Allec
Graduate Student
Nanoscale & Mesoscale Energy Materials Group
Department of Materials Science & Engineering
University of California Riverside

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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.