fleur_help.f90 2.75 KB
Newer Older
1 2 3 4 5
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
6
MODULE m_fleur_help
7 8
  IMPLICIT NONE
CONTAINS
9
  SUBROUTINE fleur_help()
10 11 12 13 14
    USE m_compile_descr
    USE m_constants
    USE m_juDFT
    IMPLICIT NONE
    CHARACTER(LEN=50):: gitdesc,githash,compile_date,compile_user,compile_host
15

16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41
    PRINT *,"     Welcome to FLEUR        (www.flapw.de)   "
    PRINT *,"     MaX-Release 1         (www.max-centre.eu)"

    IF (.NOT. (juDFT_was_argument("-h").OR.juDFT_was_argument("--help"))) RETURN

    !now print version info and help on command line arguments:
    CALL get_compile_desc(gitdesc,githash,compile_date,compile_user,compile_host)
    WRITE(*,*) "This is version: ",version_const
    WRITE(*,*) "FLEUR was compiled at ",TRIM(compile_date)," by ",TRIM(compile_user)," on ",TRIM(compile_host)
    WRITE(*,*) "Its git version is ",TRIM(gitdesc)," with hash: ",TRIM(githash)
    WRITE(*,*)
    WRITE(*,*)"------------------------------------------------------"
    WRITE(*,*)"Usage info:"
    WRITE(*,*)"The following command line options are known:"
    WRITE(*,*)"-da,-mem,-mpi,-hdf: choose a storage for the eigenvalues"
    WRITE(*,*)"                    and eigenvectors. The default will depend"
    WRITE(*,*)"                    be -mem for serial and -mpi for parallel builds" 
    WRITE(*,*)""
    WRITE(*,*)"-lapack,-lapack2,"
    write(*,*)"-elpa,-scalapack,"
    WRITE(*,*)"-elemental,-magma : choose diagonalization. Not all might be available"
    WRITE(*,*)""
    WRITE(*,*)"-debugtime        : write out the start/stop of all timers to STDOUT"
    WRITE(*,*)""
    WRITE(*,*)"-genEnpara        : write enpara file"
    WRITE(*,*)""
42
    WRITE(*,*)"-xmlInput or -xml : use inp.xml instead of inp"
43
    WRITE(*,*)""
44 45 46 47
    WRITE(*,*)"-check            : run in check mode, i.e. stop after init"
    WRITE(*,*)""
    WRITE(*,*)"-n_min_size  XXX  : try to use at least XXX PE in Eigenvalue parallelization" 
    WRITE(*,*)""
48 49
    WRITE(*,*)"-wtime XXXXX      : run for XXXX minutes (used to estimate if another iteration is started"
    WRITE(*,*)""
50 51 52 53 54 55 56 57
    WRITE(*,*)"-j #:DIR          : run subjob in directory DIR using # PEs"
    WRITE(*,*)"-f FILENAME       : obtain info on subjobs from file FILENAME"
    WRITE(*,*)""
    WRITE(*,*)"-h, --help        : print this text :-)"
    WRITE(*,*)""
    WRITE(*,*)"Please check the documentation on www.flapw.de for more details"

    CALL juDFT_error("help was written")
58 59
  END SUBROUTINE fleur_help
END MODULE m_fleur_help