pizza.py toolkit

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1

Hi,
I just started using the pizza.py toolkit. So, according to its readme file, i executed this command:

python setup_serial.py build for serial LAMMPS and Python

but i got a long list of warnings and also a few errors. The errors are listed below:

/src/atom.cpp : style_atom.h , accelerator.h :no such files or directories.
/src/atom.cpp : ‘AtomVecHybrid’ and ‘avec_hybrid’ were not declared in this scope.
/src/atom.cpp : invalid use of incomplete type ‘struct LAMMPS_NS::Cuda’

/src/lammps.h : forward declaration of type ‘struct LAMMPS_NS::Cuda’
/src/atom.cpp : In member functin 'int LAMMPS_NS ::Atom :: memcheck ( const char*)
error: command ‘gcc’ failed with with exit status 1

could you please help me out with these errors?

thanks a lot,
prateek

2

The Pizza.py toolkit is something different. It is stand-alone Python
which pre- and post-processes LAMMPS data.

setup_serial.py attempts to wrap LAMMPS itself as a C library.

I get none of the errors you list below when I invoke it. It's possible
you have installed packages, like USER-CUDA, which the Python
wrapping will not support. That package isn't even part of LAMMPS
yet, so don't install it. I would start with only the basic packages
installed, and none that depend on external libraries, like MEAM
or ReaxFF, and see if you can make progress.

Steve