Dear developers,
I'm trying to build the OpenMX on both my Jetstream2 instance (CentOS-like) and a Mac (Apple Silicon). I ran into some issues during compilation on Jetstream2:
The compilation starts fine, but linking fails with undefined references like Runtest, DFT, Allocate_Arrays, etc.
I confirmed that libhdf5.a exists and updated HDF5DIR accordingly. -lhdf5 is found, but the build still fails at the linking stage due to missing symbols.
My makefile includes only a subset of .c files, so it's likely some dependencies were excluded.
I used mpiicc and mpicc as specified in the original setup. The compiler is Intel oneAPI 2023.0.
On macOS (Apple M3), I use gcc-15/gfortran-15 via Homebrew and see similar issues.
I’d appreciate any guidance on which .c/.o files are strictly needed to build just the overlap matrix calculation part.
Thank you in advance.
Ehsan
Dear developers,
I'm trying to build the OpenMX on both my Jetstream2 instance (CentOS-like) and a Mac (Apple Silicon). I ran into some issues during compilation on Jetstream2:
The compilation starts fine, but linking fails with undefined references like Runtest, DFT, Allocate_Arrays, etc.
I confirmed that libhdf5.a exists and updated HDF5DIR accordingly. -lhdf5 is found, but the build still fails at the linking stage due to missing symbols.
My makefile includes only a subset of .c files, so it's likely some dependencies were excluded.
I used mpiicc and mpicc as specified in the original setup. The compiler is Intel oneAPI 2023.0.
On macOS (Apple M3), I use gcc-15/gfortran-15 via Homebrew and see similar issues.
I’d appreciate any guidance on which .c/.o files are strictly needed to build just the overlap matrix calculation part.
Thank you in advance.
Ehsan