Frederick Stein

Unfortunately, I cannot read any kind of Chinese (?). Could you confirm whether it states that these character mean that you used a different compiler for compilation, otherwise, tell me...

Can you provide a full output? The visible warning can be turned off by removing `-wd279` from the `FCFLAGS` variable in your arch file(s).

The gcc version is irrelevant here because you obviously compile with Intel (ifort). I am not expert with that compiler but I do remember we haven't tested the Intel compiler...

Currently, I have a bunch of compilation issues due to several routines incorrectly declared as pure (1. starting from src/lib/error_handling_neci.F90, line 8, the routine implementing the interface is definitely NOT...

I finished the tests. A few executables are not created (including neci). The test summary is 58% tests passed, 40 tests failed out of 96 Total Test time (real) =...

I did more tests. Apparently, CMake sometimes picked up the wrong compilers. In a clean setup, I started with the Intel compilers (Intel oneapi, Intel HPC kit, version 2021.10.0) which...

I agree, GCC7 is not widely available (or even supported) anymore on most hardware (my OS starts with GCC10). I still double-checked the standard. You are right regarding `error stop`...

Another aspect you might consider is OpenMP parallelization. If I understand it correctly, your code is only MPI parallelized. As such, you have to replicate ERIs between all ranks which...

ERI=Electron Repulsion Integral GCC10 was not possible for me with similar issues than with GCC13.

I have just given the recompilation with GCC another try. I have figured out that the code does indeed compile with GCC 13.1 in release mode. As soon as I...