Levi Zhou
Levi Zhou
### Background Outputs of `abacus --version` only show a serial number now, which is not enough as abacus can be compiled with gcc/intel...; can run on cpu/gpu/dcu; can be grouped...
### Describe the bug [ 41%] Building CXX object source/source_estate/CMakeFiles/elecstate.dir/module_dm/init_dm.cpp.o /tmp/abacus-develop/source/source_estate/elecstate_lcao.cpp:36:29: error: out-of-line definition of 'dm2Rho' does not match any declaration in 'elecstate::ElecStateLCAO'; did you mean 'dm2rho'? 36 | void...
### Background PEXSI in abacus can only calculate energies and forces now. ### Describe the solution you'd like To make calculating stress with PEXSI in abacus possible. ### Task list...
Some -D options of cmake seem to take little (if not no) effects on the building process of ABACUS
### Describe the Code Quality Issue (This ISSUE is related to PR #6615) # cereal -D CEREAL_INCLUDE_DIR in build_abacus_intel.sh is wrong, (should be "include", but not "include/cereal"), but it can...