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.

       --use-xgemm3m[=yesno]
              Use ZGEMM3M routines instead of ZGEMM. Default: no

       --use-mpi-in-place[=yesno] Enable/disable usage of MPI_IN_PLACE in e.g. xmpi_sum. Default:
       no
              Note that some MPI libs e.g. intel-mpi may not implement this feature correctly  so
              it  is  adviced to test this option with e.g. structural relaxations before running
              production calculations.

       --ipi  Activate socket-driven calculation using i-pi  protocol.   For  UNIX  socket,  use:
              --ipi  {unixsocket}:UNIX  For INET socket, use  --ipi {host}:{port}. Usage example:
              `abinit run.abi --ipi {unixsocket}:UNIX > run.log` NB: Requires ionmov 28 and  some
              tuning              of              input              variables.              See:
              https://wiki.fysik.dtu.dk/ase/dev/ase/calculators/socketio/socketio.html

       --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

              At present only GS, relaxations and MD runs support this option

       --verbose
              Enable verbose mode in argparse

       -h, --help
              Show this help and exit.

              ==============================      ===      Options     for     developers     ===
              ==============================  --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  --fft-ialltoall[=yesno]
              Use  non-blocking  ialltoall  in  MPI-FFT  (used  only  if  ndat  >  1  and MPI2+).
              --gnu-mtrace               Enable mtrace  (requires  GNU  and  clib).   --ieee-halt
              Halt  the  code  if  one  of  the *usual* IEEE exceptions is raised.  --ieee-signal
              Signal   the    occurrence    of    the    *usual*    IEEE    exceptions.     --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.