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error duing compilation of user-deepmd module in lammps #1
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Which lammps version did you use? |
I downloaded the latest stable release |
I can reproduce the reported error. Let me work on it. A fast solution for you should be switching to lammps-31Mar17. |
ok thx. i'm will try that now. |
ok that compiled. interesting. good luck on finding the issue with the newer version. |
bug fixed. |
amcadmus
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change interface of constructor, support multi-gpu mode in ModelDevi
amcadmus
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Apr 20, 2021
This was referenced Mar 21, 2024
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hello
I compiled the deepmd-kit (using tensorflow-1.5.0 and gnu-4.9.3) and made the lammps module. the serial version of lammps without the deepmd module compiles fine.
however when I tried to compile lammps with the deepmd module I'm seeing the following errors:
g++ -g -O3 -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -std=c++11 -DHIGH_PREC -I/g/g99/hamel2/build_tf/1.5.0/gpu/include -I/g/g99/hamel2/deepmd-kit/include/deepmd -std=c++11 -DHIGH_PREC -I/g/g99/hamel2/build_tf/1.5.0/gpu/include -I/g/g99/hamel2/deepmd-kit/include/deepmd -std=c++11 -DHIGH_PREC -I/g/g99/hamel2/build_tf/1.5.0/gpu/include -I/g/g99/hamel2/deepmd-kit/include/deepmd -std=c++11 -DHIGH_PREC -I/g/g99/hamel2/build_tf/1.5.0/gpu/include -I/g/g99/hamel2/deepmd-kit/include/deepmd -I../STUBS -c ../pair_nnp.cpp
../pair_nnp.cpp: In member function 'virtual void LAMMPS_NS::PairNNP::compute(int, int)':
../pair_nnp.cpp:33:20: error: invalid use of incomplete type 'class LAMMPS_NS::Atom'
double **x = atom->x;
^
In file included from ../pointers.h:26:0,
from ../memory.h:18,
from ../pair_nnp.cpp:3:
../lammps.h:29:9: error: forward declaration of 'class LAMMPS_NS::Atom'
class Atom *atom; // atom-based quantities
^
...
any suggestions?
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