Error in `make` while trying to get SSAGES executable

[wisecashew]

I am following the procedure laid out on this page.

I am using the LAMMPS version released on Sep 29, 2021 with the ASPHERE, EXTRA_MOLECULE, and CLASS2 package with icc and icpc as my C and CXX compilers.

However, as I try to make SSAGES, I get the following error:

[ 42%] Building CXX object CMakeFiles/libssages.dir/hooks/lammps/fix_ssages.cpp.o
/home/user/software/SSAGES/hooks/lammps/fix_ssages.cpp(34): error: identifier "virial_flag" is undefined
        virial_flag = 1;
        ^

/home/user/software/SSAGES/hooks/lammps/fix_ssages.cpp(87): error: identifier "THERMO_ENERGY" is undefined
        mask |= THERMO_ENERGY;
                ^

compilation aborted for /home/user/software/SSAGES/hooks/lammps/fix_ssages.cpp (code 2)
make[2]: *** [CMakeFiles/libssages.dir/build.make:76: CMakeFiles/libssages.dir/hooks/lammps/fix_ssages.cpp.o] Error 2
make[1]: *** [CMakeFiles/Makefile2:370: CMakeFiles/libssages.dir/all] Error 2
make: *** [Makefile:91: all] Error 2

How do I fix this issue? Is there an issue with virial_flag? I would appreciate any advice you have for me.

[mquevill]

The developers of LAMMPS made some changes since there were inconsistencies associated with those variables. It seems like the 29 Sep 2021 release and all newer releases will be affected by these changes. This would require us to rewrite parks of our engine hook to address these changes. SSAGES has been extensively tested with stable versions from 10 Aug 2015 to 29 Oct 2020, so I would recommend using one of those versions, if possible.

Original issue raised here: https://github.com/lammps/lammps/issues/2528 Code changes were put into LAMMPS here: https://github.com/lammps/lammps/pull/2560 Longer discussion that first gave rise to noticing these inconsistencies: https://github.com/lammps/lammps/pull/2515

[wisecashew]

Thank you @mquevill. I tried out LAMMPS 29Oct2020 with the packages I need and ssages has compiled.