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Some more fixes for I/O in Windows

This commit is contained in:
Paolo Giannozzi 2018-05-27 19:34:55 +02:00
parent fa0cfc33ed
commit 09bd1dfe4b
6 changed files with 19 additions and 18 deletions
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6
PHonon/PH/phq_readin.f90
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@ -50,7 +50,7 @@ SUBROUTINE phq_readin()
USE partial, ONLY : atomo, nat_todo, nat_todo_input
USE output, ONLY : fildyn, fildvscf, fildrho
USE disp, ONLY : nq1, nq2, nq3, x_q, wq, nqs, lgamma_iq
USE io_files, ONLY : tmp_dir, prefix, create_directory, check_tempdir
USE io_files, ONLY : tmp_dir, prefix, postfix, create_directory, check_tempdir
USE noncollin_module, ONLY : i_cons, noncolin
USE ldaU, ONLY : lda_plus_u
USE control_flags, ONLY : iverbosity, modenum, twfcollect
@ -590,9 +590,9 @@ SUBROUTINE phq_readin()
ENDIF
!
#if defined (__OLDXML)
filename=TRIM(tmp_dir_phq)//TRIM(prefix)//'.save/data-file.xml'
filename=TRIM(tmp_dir_phq)//TRIM(prefix)//postfix//'data-file.xml'
#else
filename=TRIM(tmp_dir_phq)//TRIM(prefix)//'.save/data-file-schema.xml'
filename=TRIM(tmp_dir_phq)//TRIM(prefix)//postfix//'data-file-schema.xml'
#endif
IF (ionode) inquire (file =TRIM(filename), exist = exst)
!

4
PP/src/fermi_proj.f90
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@ -103,7 +103,7 @@ SUBROUTINE read_atomic_proj(lbinary_data, wt, ns, nk)
!
! Read atomic_proj.* generated by projwfc.x
!
USE io_files, ONLY : prefix, tmp_dir
USE io_files, ONLY : prefix, tmp_dir, postfix
USE iotk_module
USE basis, ONLY : natomwfc
USE wvfct, ONLY : nbnd
@ -136,7 +136,7 @@ SUBROUTINE read_atomic_proj(lbinary_data, wt, ns, nk)
WRITE(stdout,'(5x,a, i6)') "Number of target wavefunction : ", nwfc
WRITE(stdout,'(5x,a, 1000i6)') "Target wavefunction : ", targetwfc(1:nwfc)
!
tmp = TRIM(tmp_dir) // TRIM(prefix) // '.save/atomic_proj'
tmp = TRIM(tmp_dir) // TRIM(prefix) // postfix // 'atomic_proj'
!
IF (lbinary_data) THEN
tmp = TRIM(tmp) // ".dat"

11
PP/src/importexport_binary.f90
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@ -72,7 +72,8 @@ SUBROUTINE impexp ()
!-----------------------------------------------------------------------
USE kinds, ONLY : DP
USE io_files, ONLY : tmp_dir, prefix, psfile, pseudo_dir, xmlpun, create_directory
USE io_files, ONLY : tmp_dir, prefix, postfix, psfile, pseudo_dir, &
xmlpun, create_directory
USE ions_base, ONLY : nsp
USE io_global, ONLY : ionode, ionode_id
USE mp, ONLY : mp_bcast
@ -194,15 +195,15 @@ SUBROUTINE impexp ()
! I need to copy XML file
filename = TRIM( xmlpun )
sourcef = TRIM( old_tmp_dir ) // TRIM( prefix ) // '.save/' // TRIM( filename )
destf = TRIM( new_tmp_dir ) // TRIM( prefix ) // '.save/' // TRIM( filename )
sourcef = TRIM( old_tmp_dir ) // TRIM( prefix ) // postfix // TRIM( filename )
destf = TRIM( new_tmp_dir ) // TRIM( prefix ) // postfix // TRIM( filename )
ios = f_copy( TRIM( sourcef ), TRIM( destf ))
IF ( ios /= 0) CALL errore ('importexport', 'copying the '//TRIM(filename)//' file', abs(ios))
! I also need to copy the UPF files
do l=1, nsp
sourcef = TRIM( old_tmp_dir ) // TRIM( prefix ) // '.save/' // TRIM(psfile(l))
destf = TRIM( new_tmp_dir ) // TRIM( prefix ) // '.save/' // TRIM(psfile(l))
sourcef = TRIM( old_tmp_dir ) // TRIM( prefix ) // postfix // TRIM(psfile(l))
destf = TRIM( new_tmp_dir ) // TRIM( prefix ) // postfix // TRIM(psfile(l))
ios = f_copy( TRIM( sourcef ), TRIM( destf ))
IF ( ios /= 0) CALL errore ('importexport', 'copying the ' // TRIM(psfile(l)) // ' pseudo', abs(ios))
end do

4
PP/src/projwfc.f90
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@ -1591,7 +1591,7 @@ SUBROUTINE write_proj (filename, lbinary, projs, lwrite_ovp, ovps )
!-----------------------------------------------------------------------
!
USE kinds
USE io_files, ONLY : iun => iunsat, prefix, tmp_dir
USE io_files, ONLY : iun => iunsat, prefix, tmp_dir, postfix
USE basis, ONLY : natomwfc
USE cell_base
USE klist, ONLY : wk, xk, nkstot, nelec
@ -1616,7 +1616,7 @@ SUBROUTINE write_proj (filename, lbinary, projs, lwrite_ovp, ovps )
! subroutine body
!
tmp = trim( tmp_dir ) // trim( prefix ) // '.save/' //trim(filename)
tmp = trim( tmp_dir ) // trim( prefix ) // postfix //trim(filename)
!
IF ( lbinary ) THEN
tmp = TRIM(tmp) // ".dat"

4
PP/src/write_proj.f90
View File

@ -10,7 +10,7 @@ SUBROUTINE write_proj (filename, lbinary, projs, lwrite_ovp, ovps )
!-----------------------------------------------------------------------
!
USE kinds
USE io_files, ONLY : iun => iunsat, prefix, tmp_dir
USE io_files, ONLY : iun => iunsat, prefix, tmp_dir, postfix
USE basis, ONLY : natomwfc
USE cell_base
USE klist, ONLY : wk, xk, nkstot, nelec
@ -35,7 +35,7 @@ SUBROUTINE write_proj (filename, lbinary, projs, lwrite_ovp, ovps )
! subroutine body
!
tmp = trim( tmp_dir ) // trim( prefix ) // '.save/' //trim(filename)
tmp = trim( tmp_dir ) // trim( prefix ) // postfix //trim(filename)
!
IF ( lbinary ) THEN
tmp = TRIM(tmp) // ".dat"

8
PW/src/io_rho_xml.f90
View File

@ -79,7 +79,7 @@ MODULE io_rho_xml
!
iunocc = find_free_unit ()
IF ( ionode ) THEN
CALL seqopn( iunocc, 'save/occup.txt', 'FORMATTED', lexist )
CALL seqopn( iunocc, postfix//'occup.txt', 'FORMATTED', lexist )
if (noncolin) then
WRITE( iunocc, * , iostat = ierr) rho%ns_nc
else
@ -98,7 +98,7 @@ MODULE io_rho_xml
!
iunpaw = find_free_unit ()
IF ( ionode ) THEN
CALL seqopn( iunpaw, 'save/paw.txt', 'FORMATTED', lexist )
CALL seqopn( iunpaw, postfix//'paw.txt', 'FORMATTED', lexist )
WRITE( iunpaw, * , iostat = ierr) rho%bec
END IF
CALL mp_bcast( ierr, ionode_id, intra_image_comm )
@ -164,7 +164,7 @@ MODULE io_rho_xml
!
iunocc = find_free_unit ()
IF ( ionode ) THEN
CALL seqopn( iunocc, 'save/occup.txt', 'FORMATTED', lexist )
CALL seqopn( iunocc, postfix//'occup.txt', 'FORMATTED', lexist )
if (noncolin) then
READ( UNIT = iunocc, FMT = *, iostat = ierr ) rho%ns_nc
else
@ -198,7 +198,7 @@ MODULE io_rho_xml
!
iunpaw = find_free_unit ()
IF ( ionode ) THEN
CALL seqopn( iunpaw, 'save/paw.txt', 'FORMATTED', lexist )
CALL seqopn( iunpaw, postfix//'paw.txt', 'FORMATTED', lexist )
READ( UNIT = iunpaw, FMT = *, iostat=ierr ) rho%bec
END IF
CALL mp_bcast( ierr, ionode_id, intra_image_comm )