From aa60dbcd06389a6fcdd483129c26cafab6c90e3a Mon Sep 17 00:00:00 2001
From: ruess <p.ruessmann@fz-juelich.de>
Date: Fri, 13 Nov 2020 10:18:32 +0100
Subject: [PATCH] Fix Hybrid compilation mode and comment out test writeouts
---
cmake/source_list_KKRhost.txt | 1 +
source/KKRhost/rhovalnew.F90 | 46 +++++++++----------
.../sll_global_solutions.F90 | 2 +-
3 files changed, 25 insertions(+), 24 deletions(-)
diff --git a/cmake/source_list_KKRhost.txt b/cmake/source_list_KKRhost.txt
index f06264554..a5db6c015 100644
--- a/cmake/source_list_KKRhost.txt
+++ b/cmake/source_list_KKRhost.txt
@@ -381,6 +381,7 @@ target_link_libraries(kkr.x lib_kkrhost)
if(CMAKE_Fortran_COMPILER_ID MATCHES GNU)
target_link_libraries(kkr.x ${lapackblas_libraries})
endif()
+target_link_libraries(kkr.x "${ompflags}")
if(ENABLE_BdG)
# for wf testing (BdG)
diff --git a/source/KKRhost/rhovalnew.F90 b/source/KKRhost/rhovalnew.F90
index 2f6014800..ec9455014 100644
--- a/source/KKRhost/rhovalnew.F90
+++ b/source/KKRhost/rhovalnew.F90
@@ -971,29 +971,29 @@ contains
allocate (rhonewtemp(irws,lmpotd), stat=i_stat)
call memocc(i_stat, product(shape(rhonewtemp))*kind(rhonewtemp), 'RHONEWTEMP', 'RHOVALNEW')
- open (131,file='rho2',form='formatted')
- write(131,fmt='(A,I8)') '# ',irmdnew
- do jspin = 1, nspin/(nspin-korbit)*(1+korbit)
- do lm1 = 1, lmpotd
- rsum = 0.0d0
- do ir = 1, irmdnew
- rsum = rsum + abs(aimag(rho2nsc(ir, lm1, jspin)))
- end do
- if(rsum.gt.1.d-10) then
- write(131,fmt='(A,I8)') '# ',lm1
- do ir = 1, irmdnew
- if(abs(thetasnew(ir,1)).gt.1.d-6) then
- write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*thetasnew(ir,1)
- else
- write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*3.544907701811032d0
- end if
- end do
- end if
- end do
- end do
- lm1 =999999
- write(131,fmt='(A,I8)') '# ',lm1
- close (131)
+ !open (131,file='rho2',form='formatted')
+ !write(131,fmt='(A,I8)') '# ',irmdnew
+ !do jspin = 1, nspin/(nspin-korbit)*(1+korbit)
+ ! do lm1 = 1, lmpotd
+ ! rsum = 0.0d0
+ ! do ir = 1, irmdnew
+ ! rsum = rsum + abs(aimag(rho2nsc(ir, lm1, jspin)))
+ ! end do
+ ! if(rsum.gt.1.d-10) then
+ ! write(131,fmt='(A,I8)') '# ',lm1
+ ! do ir = 1, irmdnew
+ ! if(abs(thetasnew(ir,1)).gt.1.d-6) then
+ ! write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*thetasnew(ir,1)
+ ! else
+ ! write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*3.544907701811032d0
+ ! end if
+ ! end do
+ ! end if
+ ! end do
+ !end do
+ !lm1 =999999
+ !write(131,fmt='(A,I8)') '# ',lm1
+ !close (131)
do jspin = 1, nspin/(nspin-korbit)*(1+korbit)
rhotemp = czero
diff --git a/source/common/radial_solver_Chebychev/sll_global_solutions.F90 b/source/common/radial_solver_Chebychev/sll_global_solutions.F90
index 27dfa572e..1831d121d 100644
--- a/source/common/radial_solver_Chebychev/sll_global_solutions.F90
+++ b/source/common/radial_solver_Chebychev/sll_global_solutions.F90
@@ -306,7 +306,7 @@ contains
end do
end if
- write(6,*) 'dllpmax',dllpmax,'iter_beta',iter_beta
+ !write(6,*) 'dllpmax',dllpmax,'iter_beta',iter_beta
end do ! niter_beta
--
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