Comments (3)
I think this is an intrinsic limitation of Fortran 90+. Since header files (*.mod) are created when compiling, a required header file may not yet have been created when compiling another source files in parallel and not strictly sequentially. Resolving this would need complex dependency resolution, which make probably would not support anyway.
from quip.
We do have full dependencies for the Fortran module files. The mapping from source files to modules they include is generated by the parser used for wrapping to build quippy, and then included in the Makefile. So I think it's other parts of the build system that defeat the parallel builds.
from quip.
I see. Will have to check at some point how you did this to upgrade my Atomistica makefiles.
from quip.
Related Issues (20)
- Issue with the uniform sparse
- Using Coulomb potential as a baseline HOT 2
- Added better compatibility for soap_turbo definitions and add_species=T support HOT 2
- RMSE for Liquids in GAP HOT 6
- pip install quippy-ase error HOT 10
- OS/Python version combination (in connection to pip install quippy-ase error #623) HOT 20
- cpu overhead during potential file reading HOT 5
- Compilation Error HOT 5
- Error while reading old trained models and dimer descriptors issue HOT 5
- Regarding Absolute Error of configurations of training set
- fatal error: mach/host_info.h: No such file or directory HOT 4
- Compilation Error HOT 1
- General trimer descriptor and gap_fit HOT 5
- QUIPPY installation issue
- SYSTEM ABORT: Traceback (most recent call last) File "/io/QUIP/src/GAP/gp_predict.f95", line 485 kind unspecified HOT 7
- gap_fit MPI Segmentation fault HOT 20
- Let's have the makefiles cry with very old compiler versions HOT 1
- gap_si_surface.ipynb: runtime error about dftb-params.xml HOT 1
- angle_3b not MPI ready HOT 2
- Empty output file from quip command HOT 37
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