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


From: Sarah Allec <salle008@...3731...>
Date: Mon, 14 May 2018 16:39:40 -0700

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