LAMMPS compilation error when including AWSEM src files

[rlindsa2]

Hello,

I am attempting to compile LAMMPS with AWSEM-MD by following the instructions on the 'Getting Started' Github page (https://github.com/adavtyan/awsemmd/wiki) and am getting a compilation error involving some of the AWESEM source files.
Part of the error output is below; the primary error is "error: 'int LAMMPS_NS::NeighRequest::id' is protected within this context":

./compute_property_local.cpp
g++ -g -O3 -std=c++11 -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -I../STUBS -c ../fix_backbone.cpp
../fix_backbone.cpp: In member function 'virtual void LAMMPS_NS::FixBackbone::init()':
../fix_backbone.cpp:1618:33: error: 'int LAMMPS_NS::NeighRequest::id' is protected within this context
1618 | neighbor->requests[irequest]->id = 1;
| ^~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:35:7: note: declared protected here
35 | int id; // ID of request as stored by requestor
| ^~
../fix_backbone.cpp:1619:33: error: 'int LAMMPS_NS::NeighRequest::pair' is protected within this context
1619 | neighbor->requests[irequest]->pair = 0;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:46:7: note: declared protected here
46 | int pair; // pair is set by default
| ^~~~
../fix_backbone.cpp:1620:33: error: 'int LAMMPS_NS::NeighRequest::fix' is protected within this context
1620 | neighbor->requests[irequest]->fix = 1;
| ^~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:47:7: note: declared protected here
47 | int fix;
| ^~~
../fix_backbone.cpp:1621:33: error: 'int LAMMPS_NS::NeighRequest::half' is protected within this context
1621 | neighbor->requests[irequest]->half = 1;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:55:7: note: declared protected here
55 | int half; // half neigh list (set by default)
| ^~~~
../fix_backbone.cpp:1622:33: error: 'int LAMMPS_NS::NeighRequest::full' is protected within this context
1622 | neighbor->requests[irequest]->full = 0;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:56:7: note: declared protected here
56 | int full; // full neigh list
| ^~~~
../fix_backbone.cpp:1626:38: error: 'int LAMMPS_NS::NeighRequest::id' is protected within this context
1626 | neighbor->requests[irequest_full]->id = 2;
| ^~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:35:7: note: declared protected here
35 | int id; // ID of request as stored by requestor
| ^~
../fix_backbone.cpp:1627:38: error: 'int LAMMPS_NS::NeighRequest::pair' is protected within this context
1627 | neighbor->requests[irequest_full]->pair = 0;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:46:7: note: declared protected here
46 | int pair; // pair is set by default
| ^~~~
../fix_backbone.cpp:1628:38: error: 'int LAMMPS_NS::NeighRequest::fix' is protected within this context
1628 | neighbor->requests[irequest_full]->fix = 1;
| ^~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:47:7: note: declared protected here
47 | int fix;
| ^~~
../fix_backbone.cpp:1629:38: error: 'int LAMMPS_NS::NeighRequest::half' is protected within this context
1629 | neighbor->requests[irequest_full]->half = 0;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:55:7: note: declared protected here
55 | int half; // half neigh list (set by default)
| ^~~~
../fix_backbone.cpp:1630:38: error: 'int LAMMPS_NS::NeighRequest::full' is protected within this context
1630 | neighbor->requests[irequest_full]->full = 1;
| ^~~~
In file included from ../fix_backbone.cpp:25:
../neigh_request.h:56:7: note: declared protected here
56 | int full; // full neigh list
| ^~~~
../fix_backbone.cpp: In function 'double atan2(double, double)':
../fix_backbone.cpp:1732:17: warning: converting to non-pointer type 'double' from NULL [-Wconversion-null]
1732 | else return NULL;
| ^~~~
../fix_backbone.cpp: In member function 'double LAMMPS_NS::FixBackbone::compute_native_ixn(double, int, int, int, int, double, double)':
../fix_backbone.cpp:5050:1: warning: control reaches end of non-void function [-Wreturn-type]
5050 | }
| ^
make[1]: *** [Makefile:114: fix_backbone.o] Error 1
make[1]: Leaving directory '/mnt/home/jlindsay/programs/LAMMPS/lammps-23Jun2022/src/Obj_serial'
make: *** [Makefile:393: serial] Error 2

Thanks,
Justin Lindsay

[drelatgithub]

Seems there were interface changes following, for example, lammps/lammps#3159, where LAMMPS_NS::NeighRequest::id was changed from public to protected. I guess the codes for setting neighbor requests should be changed from

neighbor->requests[irequest]->id = 1;

to something like

neighbor->requests[irequest]->set_id(1);

[rlindsa2]

Is this something that could be resolved using a previous version of LAMMPS, and which version would you recommend?

Thank you

[adavtyan]

Hi Haoran, to be made Just to clarify, which version of the LAMMPS code are you using? If you are trying to use the latest version there are mote changes that need to be made. I have an experimental version that is adopted for the latest LAMMPS release that I can send for you to test. Otherwise, an older Spring 2020 version should br used. Best, Aram

…

On Thu, Mar 2, 2023, 11:38 AM Haoran Ni ***@***.***> wrote: Seems there are interface changes following, for example, lammps/lammps#3159 <lammps/lammps#3159>, where LAMMPS_NS::NeighRequest::id is changed from public to protected <akohlmey/lammps@799ab96>. I guess setting neighbor requests should be changed from neighbor->requests[irequest]->id = 1; to something like neighbor->requests[irequest]->set_id(1); — Reply to this email directly, view it on GitHub <#21 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABLJSDP2SV4W5YYHMO3KYETW2DLIFANCNFSM6AAAAAAVNVHCII> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[ArmaanAhmed22]

Hello,

This is also of interest to me! Could you open an experimental branch with such changes?

Sincerely,

Armaan Ahmed

[agoliaei]

Any help would be appreciated. I am interested as well.
Thanks.

[adavtyan]

I just made some updates and created the release that is fully compatible with stable_29Oct2020 LAMMPS version. In the coming weeks this should be updated to the latest 23 stable release