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Error compiling pair_allegro with LAMMPS in google colab tutorial #49

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Khan-Jnu opened this issue Jul 3, 2024 · 2 comments
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@Khan-Jnu
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Khan-Jnu commented Jul 3, 2024

Dear Developers,
I am trying to run the google colab tutorial and fund the that it is not compiling with the LAMMPS. I have attached the error message here. If anyone could give leads that would be very helpful. I am getting the same error in my local machine as well.

/content/lammps/src/compute_allegro.cpp: In instantiation of ‘void LAMMPS_NS::ComputeAllegro::compute_peratom() [with int peratom = 0]’:
/content/lammps/src/compute_allegro.cpp:191:18: required from here
/content/lammps/src/compute_allegro.cpp:157:33: error: no matching function for call to ‘LAMMPS_NS::Comm::reverse_comm(LAMMPS_NS::ComputeAllegro<0>)’
157 | if (newton) comm->reverse_comm(this);
| ~~~~~~~~~~~~~~~~~~^~~~~~
In file included from /content/lammps/src/compute_allegro.cpp:20:
/content/lammps/src/comm.h:79:16: note: candidate: ‘virtual void LAMMPS_NS::Comm::reverse_comm()’
79 | virtual void reverse_comm() = 0; // reverse comm of forces
| ^~~~~~~~~~~~
/content/lammps/src/comm.h:79:16: note: candidate expects 0 arguments, 1 provided
/content/lammps/src/compute_allegro.cpp: In instantiation of ‘void LAMMPS_NS::ComputeAllegro::compute_peratom() [with int peratom = 1]’:
/content/lammps/src/compute_allegro.cpp:192:18: required from here
/content/lammps/src/compute_allegro.cpp:157:33: error: no matching function for call to ‘LAMMPS_NS::Comm::reverse_comm(LAMMPS_NS::ComputeAllegro<1>)’
157 | if (newton) comm->reverse_comm(this);
| ~~~~~~~~~~~~~~~~~~^~~~~~
In file included from /content/lammps/src/compute_allegro.cpp:20:
/content/lammps/src/comm.h:79:16: note: candidate: ‘virtual void LAMMPS_NS::Comm::reverse_comm()’
79 | virtual void reverse_comm() = 0; // reverse comm of forces
| ^~~~~~~~~~~~
/content/lammps/src/comm.h:79:16: note: candidate expects 0 arguments, 1 provided
[ 17%] Building CXX object CMakeFiles/lammps.dir/content/lammps/src/compute_cluster_atom.cpp.o
[ 17%] Building CXX object CMakeFiles/lammps.dir/content/lammps/src/compute_cna_atom.cpp.o
make[2]: *** [CMakeFiles/lammps.dir/build.make:482: CMakeFiles/lammps.dir/content/lammps/src/compute_allegro.cpp.o] Error 1
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [CMakeFiles/Makefile2:161: CMakeFiles/lammps.dir/all] Error 2
make: *** [Makefile:136: all] Error 2

@Khan-Jnu
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Hello @Linux-cpp-lisp and @anjohan, can you please tell me what is happening?

@Linux-cpp-lisp
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@Khan-Jnu thanks for reporting this. I have updated the Colab, let me know if it works now.

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