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

xctest.f90 now compiles again (but it doesn't link, since some needed routines 

are in CPV/)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10499 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2013-09-29 14:37:23 +00:00
parent b1fabb0fd9
commit 28a209ab15
2 changed files with 11 additions and 8 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
PP/src/make.depend
View File

@ -665,8 +665,9 @@ write_proj.o : ../../PW/src/atomic_wfc_mod.o
write_proj.o : ../../PW/src/pwcom.o
write_proj.o : ../../iotk/src/iotk_module.o
xctest.o : ../../Modules/funct.o
xctest.o : ../../Modules/io_global.o
xctest.o : ../../Modules/kind.o
xctest.o : ../../Modules/mp.o
xctest.o : ../../Modules/mp_global.o
xk_et_collect.o : ../../Modules/kind.o
xk_et_collect.o : ../../Modules/mp.o
xk_et_collect.o : ../../Modules/mp_global.o

16
PP/src/xctest.f90
View File

@ -6,7 +6,8 @@
! or http://www.gnu.org/copyleft/gpl.txt .
!
PROGRAM xctest
USE mp, ONLY: mp_start, mp_end
USE mp_global, ONLY: mp_startup, mp_global_end
USE io_global, ONLY: ionode
USE kinds, ONLY: DP
USE funct, ONLY: set_dft_from_indices
IMPLICIT NONE
@ -14,17 +15,18 @@ PROGRAM xctest
INTEGER :: nspin = 2
real(DP), ALLOCATABLE :: rhor( :, : )
real(DP), ALLOCATABLE :: grhor( :, :, : )
INTEGER :: iexch,icorr,igcx,igcc
INTEGER :: nproc, mpime, gid
INTEGER :: iexch,icorr,igcx,igcc,inlc
INTEGER :: nproc, mpime
CALL mp_start(nproc, mpime, gid)
CALL mp_startup( )
if ( mpime == 0 ) then
if ( ionode ) then
iexch=1
icorr=3
igcx=1
igcc=3
CALL set_dft_from_indices(iexch,icorr,igcx,igcc)
inlc=0
CALL set_dft_from_indices(iexch,icorr,igcx,igcc,inlc)
OPEN(unit=17,form='unformatted',status='old')
READ(17) nnr, nspin
@ -38,7 +40,7 @@ PROGRAM xctest
CALL test_xc( nnr, nspin, rhor, grhor )
end if
CALL mp_end()
CALL mp_global_end()
END PROGRAM xctest
SUBROUTINE test_gcxc( nnr, nspin, rhor, grhor )