table of contents
ABINIT(1) | User Commands | ABINIT(1) |
NAME¶
abinit - Ab initio atomic-scale simulation software
DESCRIPTION¶
- -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).
SEE ALSO¶
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.
February 2021 | abinit 9.2.2 |