Commit a470eb5f by 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 ... ...
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!