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Lammps stable branch will not compile with flare #41

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niklundgren opened this issue Sep 6, 2022 · 2 comments
Open

Lammps stable branch will not compile with flare #41

niklundgren opened this issue Sep 6, 2022 · 2 comments

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@niklundgren
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Hello mir-group,
I'm trying to get a flare potential running in lammps. MAE looks good, just trying to ship it. Cmake throws an error after approximately 30 warnings about ignored return values while compiling compute_flare_std_atom.cpp.o
I'm happy to use an earlier version of lammps if that's what I need to do for now, but am at a loss as to how far back I need to search.
Any guidance?
Thanks a bunch,
Nik

the issue:
lammps won't compile w/ current flare

to reproduce:
git clone https://github.com/mir-group/flare_pp

git clone https://github.com/lammps/lammps
git checkout origin/stable_23july2022_update1
lmp=/path/to/lammps

cd /path/to/flare_pp/lammps_plugins
bash install.sh ${lmp}
cd ${lmp}/cmake/
mkdir build
cmake -c ../mypresets/ ../ .
make -j 32

presets file:
contains standard packages, and kokkos arguments
I've commented out arguments containing paths to libraries on my machine.
nanotheorygrouplammpspresets.txt
make-error.txt

@niklundgren
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also:

make version 4.2.1
cmake version 3.16.3

and the same error is reached by using the lammps_plugins from the mir-group/flare repo development branch, (in addition to the flare_pp repo master branch).

@YuuuXie
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YuuuXie commented Sep 7, 2022

Hi @niklundgren

Could you check the pre-release 1.1.2 of flare: https://github.com/mir-group/flare/releases/tag/1.1.2
That version should have lammps plugin code compatible with lammps stable 2021

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