abinit - Ab initio atomic-scale simulation software
- -v, --version
- Show version number and exit.
- -b, --build
- Show build parameters and exit.
- -d, --dry-run
- Validate input file and exit.
- -j,
--omp-num-threads
- Set the number of OpenMp threads.
- --abimem-level
NUM
- Set memory profiling level. Requires HAVE_MEM_PROFILING
- --abimem-limit-mb
NUM
- Log malloc/free only if size > limit in Megabytes. Requires
abimem-level 3
- --ieee-halt
- Halt the code if one of the *usual* IEEE exceptions is raised.
- --ieee-signal
- Signal the occurrence of the *usual* IEEE exceptions.
- --fft-ialltoall[=bool]
- Use non-blocking ialltoall in MPI-FFT (used only if ndat>1 and
MPI3).
- --xgemm3m[=bool]
- Use [Z,C]GEMM3M]
- --gnu-mtrace
- Enable mtrace (requires GNU and clib).
- --log
- Enable log files and status files in parallel execution.
- --netcdf-classic
- Use netcdf classic mode for new files if parallel-IO is not needed.
Default is netcdf4/hdf5
- --enforce-fortran-io
- Use Fortran-IO instead of MPI-IO when operating on Fortran files Useful to
read files when the MPI-IO library is not efficient. DON'T USE this option
when the code needs to write large files e.g. WFK
- -t,
--timelimit
- Set the timelimit for the run. Accepts time in Slurm notation: days-hours
days-hours:minutes days-hours:minutes:seconds minutes minutes:seconds
hours:minutes:seconds
- --verbose
- Verbose mode
- -h, --help
- Show this help and exit.
- --F03
- Run F03 mode (for Multibinit only).
The full documentation for abinit is maintained as a
Texinfo manual. If the info and abinit programs are properly
installed at your site, the command
- info abinit
should give you access to the complete manual.