Commit 0c167185 authored by Marco Govoni's avatar Marco Govoni
Browse files

Included conversion to DBLE

parent cfa2ff20
...@@ -119,7 +119,7 @@ MODULE function3d ...@@ -119,7 +119,7 @@ MODULE function3d
USE cell_base, ONLY : celldm, at USE cell_base, ONLY : celldm, at
USE control_flags, ONLY : gamma_only USE control_flags, ONLY : gamma_only
USE mp_bands, ONLY : me_bgrp USE mp_bands, ONLY : me_bgrp
USE scatter_mod, ONLY : gather_grid USE scatter_mod, ONLY : scatter_grid
USE fft_types, ONLY : fft_type_descriptor USE fft_types, ONLY : fft_type_descriptor
USE forpy_mod, ONLY: call_py, call_py_noret, import_py, module_py USE forpy_mod, ONLY: call_py, call_py_noret, import_py, module_py
USE forpy_mod, ONLY: tuple, tuple_create USE forpy_mod, ONLY: tuple, tuple_create
......
...@@ -106,6 +106,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq) ...@@ -106,6 +106,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
COMPLEX(DP), INTENT(IN) :: dvg(npwqx,m) COMPLEX(DP), INTENT(IN) :: dvg(npwqx,m)
COMPLEX(DP), INTENT(OUT) :: dng(npwqx,m) COMPLEX(DP), INTENT(OUT) :: dng(npwqx,m)
COMPLEX(DP), ALLOCATABLE :: aux_r(:) COMPLEX(DP), ALLOCATABLE :: aux_r(:)
REAL(DP), ALLOCATABLE :: aux_r_double(:)
CHARACTER(LEN=:),ALLOCATABLE :: filename CHARACTER(LEN=:),ALLOCATABLE :: filename
CHARACTER(LEN=:),ALLOCATABLE :: lockfile CHARACTER(LEN=:),ALLOCATABLE :: lockfile
! !
...@@ -114,6 +115,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq) ...@@ -114,6 +115,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
IF(iq/=0) CALL errore("outsourced","iq /= 0 not allowed",iq) IF(iq/=0) CALL errore("outsourced","iq /= 0 not allowed",iq)
! !
ALLOCATE(aux_r(dffts%nnr)); aux_r=0._DP ALLOCATE(aux_r(dffts%nnr)); aux_r=0._DP
ALLOCATE(aux_r_double(dffts%nnr)); aux_r=0._DP
! !
! WRITE PERTURBATIONS TO FILE ! WRITE PERTURBATIONS TO FILE
! !
...@@ -126,7 +128,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq) ...@@ -126,7 +128,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
ENDIF ENDIF
! !
WRITE(filename,'("I.",I0,"_P.",I0,".xml")') my_image_id, ipert WRITE(filename,'("I.",I0,"_P.",I0,".xml")') my_image_id, ipert
!CALL write_function3d(filename,aux_r,dffts) aux_r_double(:) = DBLE(aux_r(:))
CALL write_function3d(filename,aux_r_double,dffts)
! !
ENDDO ENDDO
! !
...@@ -154,7 +157,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq) ...@@ -154,7 +157,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
DO ipert = 1, m DO ipert = 1, m
! !
WRITE(filename,'("I.",I0,"_P.",I0,".xml.response")') my_image_id, ipert WRITE(filename,'("I.",I0,"_P.",I0,".xml.response")') my_image_id, ipert
!CALL read_function3d(filename,aux_r,dffts) CALL read_function3d(filename,aux_r_double,dffts)
aux_r(:) = CMPLX(aux_r_double(:),0._DP)
! !
IF(gamma_only) THEN IF(gamma_only) THEN
CALL single_fwfft_gamma(dffts,npwq,npwqx,aux_r,dng(:,ipert),TRIM(fftdriver)) CALL single_fwfft_gamma(dffts,npwq,npwqx,aux_r,dng(:,ipert),TRIM(fftdriver))
...@@ -178,6 +182,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq) ...@@ -178,6 +182,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
ENDIF ENDIF
! !
DEALLOCATE(aux_r) DEALLOCATE(aux_r)
DEALLOCATE(aux_r_double)
! !
END SUBROUTINE END SUBROUTINE
......
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