Commit a470eb5f authored by Daniel Wortmann's avatar Daniel Wortmann

Small changes to output

parent 441b85a5
...@@ -383,11 +383,11 @@ endif ...@@ -383,11 +383,11 @@ endif
ENDIF ENDIF
IF (MOD(ierr/8,2).NE.0) THEN IF (MOD(ierr/8,2).NE.0) THEN
WRITE(6,*) myid,' PDSTEBZ failed to compute eigenvalues' WRITE(6,*) myid,' PDSTEBZ failed to compute eigenvalues'
!CALL CPP_flush(6) CALL judft_error("SCALAPACK failed to solve eigenvalue problem",calledby="chani.F90")
ENDIF ENDIF
IF (MOD(ierr/16,2).NE.0) THEN IF (MOD(ierr/16,2).NE.0) THEN
WRITE(6,*) myid,' B was not positive definite, Cholesky failed at',ifail(1) WRITE(6,*) myid,' B was not positive definite, Cholesky failed at',ifail(1)
!CALL CPP_flush(6) CALL judft_error("SCALAPACK failed: B was not positive definite",calledby="chani.F90")
ENDIF ENDIF
ENDIF ENDIF
IF (num2 < num1) THEN IF (num2 < num1) THEN
......
...@@ -60,7 +60,7 @@ CONTAINS ...@@ -60,7 +60,7 @@ CONTAINS
e=1.0 e=1.0
ch(0:9) = (/'s','p','d','f','g','h','i','j','k','l'/) ch(0:9) = (/'s','p','d','f','g','h','i','j','k','l'/)
DO jsp = 1,input%jspins DO jsp = 1,input%jspins
IF( input%jspins .GT. 1 ) WRITE(6,'(A,i3)') ' Spin: ',jsp !IF( input%jspins .GT. 1 ) WRITE(6,'(A,i3)') ' Spin: ',jsp
!$OMP PARALLEL DO DEFAULT(none) & !$OMP PARALLEL DO DEFAULT(none) &
!$OMP SHARED(atoms,enpara,jsp,l_done,mpi,vr,c,el,ch,lo_done,ello) & !$OMP SHARED(atoms,enpara,jsp,l_done,mpi,vr,c,el,ch,lo_done,ello) &
!$OMP PRIVATE(n,nqn,nqn_lo,d,rn,msh,f,vrd,j,t1,t2,rr,l,node,nodeu,e,start,us,dus,e_lo,e_up) & !$OMP PRIVATE(n,nqn,nqn_lo,d,rn,msh,f,vrd,j,t1,t2,rr,l,node,nodeu,e,start,us,dus,e_lo,e_up) &
......
...@@ -66,7 +66,7 @@ CONTAINS ...@@ -66,7 +66,7 @@ CONTAINS
id=eig66_data_newid(mode) id=eig66_data_newid(mode)
PRINT *,"open_eig:",id,mode !PRINT *,"open_eig:",id,mode
CALL timestart("Open file/memory for IO of eig66") CALL timestart("Open file/memory for IO of eig66")
SELECT CASE (eig66_data_mode(id)) SELECT CASE (eig66_data_mode(id))
...@@ -94,7 +94,7 @@ CONTAINS ...@@ -94,7 +94,7 @@ CONTAINS
CHARACTER(LEN=*),INTENT(IN),OPTIONAL :: filename CHARACTER(LEN=*),INTENT(IN),OPTIONAL :: filename
INTEGER :: mode INTEGER :: mode
mode=eig66_data_mode(id) mode=eig66_data_mode(id)
PRINT*,"close_eig:",id,mode !PRINT*,"close_eig:",id,mode
SELECT CASE (mode) SELECT CASE (mode)
CASE (DA_mode) CASE (DA_mode)
CALL close_eig_DA(id,filename) CALL close_eig_DA(id,filename)
......
...@@ -140,7 +140,7 @@ CONTAINS ...@@ -140,7 +140,7 @@ CONTAINS
CALL MPI_COMM_GROUP (mpi%MPI_COMM,WORLD_GROUP,ierr) CALL MPI_COMM_GROUP (mpi%MPI_COMM,WORLD_GROUP,ierr)
CALL MPI_GROUP_INCL (WORLD_GROUP,mpi%n_size,i_mygroup,SUB_GROUP,ierr) CALL MPI_GROUP_INCL (WORLD_GROUP,mpi%n_size,i_mygroup,SUB_GROUP,ierr)
CALL MPI_COMM_CREATE (mpi%MPI_COMM,SUB_GROUP,mpi%SUB_COMM,ierr) CALL MPI_COMM_CREATE (mpi%MPI_COMM,SUB_GROUP,mpi%SUB_COMM,ierr)
write (*,"(a,i0,100i4)") "MPI:",mpi%sub_comm,mpi%irank,mpi%n_groups,mpi%n_size,n,i_mygroup !write (*,"(a,i0,100i4)") "MPI:",mpi%sub_comm,mpi%irank,mpi%n_groups,mpi%n_size,n,i_mygroup
CALL MPI_COMM_RANK (mpi%SUB_COMM,mpi%n_rank,ierr) CALL MPI_COMM_RANK (mpi%SUB_COMM,mpi%n_rank,ierr)
#endif #endif
......
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