Commit 6525ed7f authored by Matthias Redies's avatar Matthias Redies

merge develop

parents 90443a2b 2943c360
......@@ -29,7 +29,7 @@ test-gfortran:
paths:
- build
script:
- ulimit -s unlimited ;export juDFT_MPI="mpirun -n 2 --allow-run-as-root ";cd /builds/fleur/fleur/build;ctest
- ulimit -s unlimited ;export juDFT_MPI="mpirun -n 2 --allow-run-as-root ";export OMP_NUM_THREADS=4;cd /builds/fleur/fleur/build;ctest
artifacts:
when: on_failure
paths:
......
......@@ -114,12 +114,12 @@ CONTAINS
ENDIF
!---> loop over lapws
#ifndef CPP_OLDINTEL
!$OMP PARALLEL DO &
!$OMP& DEFAULT(none)&
!$OMP& PRIVATE(k,i,work_r,work_c,ccchi,kspin,fg,fk,s,r1,fj,dfj,l,df,wronk,tmk,phase,lo,nkvec,&
!$OMP& inap,nap,j,fgr,fgp,s2h,s2h_e,fkr,fkp,ylm,ll1,m,c_0,c_1,c_2,lmp,inv_f,lm)&
!$OMP& SHARED(n,nn,natom,natom_l,noco,atoms,sym,cell,oneD,lapw,nvmax,ne,zMat,usdus,ci,iintsp,eig,l_force,&
!$OMP& alo1,blo1,clo1,jatom,jspin,apw,const,nbasf0,acof,bcof,ccof,force,nat_start,nat_stop)
!!$OMP PARALLEL DO &
!!$OMP& DEFAULT(none)&
!!$OMP& PRIVATE(k,i,work_r,work_c,ccchi,kspin,fg,fk,s,r1,fj,dfj,l,df,wronk,tmk,phase,lo,nkvec,&
!!$OMP& inap,nap,j,fgr,fgp,s2h,s2h_e,fkr,fkp,ylm,ll1,m,c_0,c_1,c_2,lmp,inv_f,lm)&
!!$OMP& SHARED(n,nn,natom,natom_l,noco,atoms,sym,cell,oneD,lapw,nvmax,ne,zMat,usdus,ci,iintsp,eig,l_force,&
!!$OMP& alo1,blo1,clo1,jatom,jspin,apw,const,nbasf0,acof,bcof,ccof,force,nat_start,nat_stop)
#endif
DO k = 1,nvmax
IF (zmat%l_real) THEN
......@@ -217,7 +217,7 @@ CONTAINS
END DO
ENDDO ! loop over LAPWs (k)
#ifndef CPP_OLDINTEL
!$OMP END PARALLEL DO
!!$OMP END PARALLEL DO
#endif
IF (zmat%l_real) THEN
DEALLOCATE(work_r)
......
......@@ -30,9 +30,9 @@ module m_eig66_data
INTEGER,ALLOCATABLE :: pe_basis(:,:),slot_basis(:,:)
INTEGER,ALLOCATABLE :: pe_ev(:,:,:),slot_ev(:,:,:)
INTEGER :: irank
INTEGER,POINTER :: neig_data(:)
REAL,POINTER :: eig_data(:),zr_data(:), w_iks_data(:)
COMPLEX,POINTER :: zc_data(:)
INTEGER,POINTER :: neig_data(:)
REAL,POINTER :: eig_data(:),zr_data(:), w_iks_data(:)
COMPLEX,POINTER :: zc_data(:)
END TYPE
TYPE,EXTENDS(t_data):: t_data_hdf
#ifdef CPP_HDF
......@@ -82,7 +82,7 @@ module m_eig66_data
INTEGER,INTENT(IN),OPTIONAL :: io_mode
CLASS(t_data),pointer::d
TYPE(t_list),POINTER:: listpointer,lastinlist
TYPE(t_list),POINTER,ASYNCHRONOUS:: listpointer,lastinlist
lastinlist=>null()
listpointer=>linked_list
......
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