scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

The trick suggested by Francesco Antoniella ( input from file ) is now coded 

in iosys (input.f90).
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@456 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
sbraccia 2003-12-16 15:43:57 +00:00
parent 75d26e1992
commit c690c6d228
2 changed files with 36 additions and 14 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

28
PW/input.f90
View File

@ -186,13 +186,39 @@ SUBROUTINE iosys()
!
! ... local variables
!
INTEGER :: unit = 5, i, ia, ios, ierr, ilen, is, image
INTEGER :: unit = 5, &! standard input unit
i, iiarg, nargs, ia, ios, ierr, ilen, is, image
INTEGER :: iargc
EXTERNAL iargc
CHARACTER (LEN=80) :: input_file
!
!
CALL getenv( 'HOME', pseudo_dir )
!
pseudo_dir = TRIM( pseudo_dir ) // '/pw/pseudo/'
!
! ... Input from file ?
!
nargs = iargc()
!
DO iiarg = 1, ( nargs - 1 )
!
CALL getarg( iiarg, input_file )
IF ( TRIM( input_file ) == '-input' .OR. &
TRIM( input_file ) == '-inp' .OR. &
TRIM( input_file ) == '-in' ) THEN
!
CALL getarg( ( iiarg + 1 ) , input_file )
OPEN ( UNIT = unit, FILE = input_file, FORM = 'FORMATTED', &
STATUS = 'OLD', IOSTAT = ierr )
CALL errore( 'iosys', 'input file ' // TRIM( input_file ) // &
& ' not found' , ierr )
!
END IF
!
END DO
!
!
CALL read_namelists( 'PW' )
!
nraise = 100

22
PW/startup.f90
View File

@ -94,24 +94,20 @@ SUBROUTINE startup( nd_nmbr, code, version )
! ... How many pools ?
!
npool = 1
nargs = IARGC()
nargs = iargc()
!
DO iiarg = 1, ( nargs - 1 )
!
CALL getarg( iiarg, np )
IF ( TRIM( np ) == '-npool' .OR. TRIM( np ) == '-npools' ) THEN
CALL GETARG( ( iiarg + 1 ), np )
READ(np,*) npool
!
CALL getarg( ( iiarg + 1 ), np )
READ( np, * ) npool
!
END IF
IF ( TRIM( np ) == '-input' .OR. TRIM( np ) == '-inp' .OR. &
TRIM( np ) == '-in' ) THEN
CALL GETARG( ( iiarg + 1 ) , np )
OPEN ( UNIT = 5, FILE = np, FORM = 'formatted', &
STATUS = 'old', IOSTAT = ierr)
CALL errore( 'startup', 'input file '//TRIM(np)//' not found',&
ierr )
end if
!
END DO
!
npool = MAX( npool, 1 )
npool = MIN( npool, nproc )
!
@ -133,7 +129,7 @@ SUBROUTINE startup( nd_nmbr, code, version )
! ... set the processor label for files
!
IF ( nproc > maxproc ) &
call errore( 'startup', ' too many processors', nproc )
CALL errore( 'startup', ' too many processors', nproc )
nd_nmbr = ' '
IF ( nproc < 10 ) THEN
WRITE( nd_nmbr(1:1) , '(I1)' ) me