diff --git a/src/csf/tree_utils.h b/src/csf/tree_utils.h index a9210191..eae19c1b 100644 --- a/src/csf/tree_utils.h +++ b/src/csf/tree_utils.h @@ -22,7 +22,7 @@ struct bin_tree { int NBF; }; -#include "/usr/include/x86_64-linux-gnu/cblas.h" +#include "/export/apps/pgi/linux86-64/18.10/include/cblas.h" #define MAX_SOMO 32 diff --git a/src/davidson/diagonalization_h_dressed.irp.f b/src/davidson/diagonalization_h_dressed.irp.f index 870c58c7..f9ea6c77 100644 --- a/src/davidson/diagonalization_h_dressed.irp.f +++ b/src/davidson/diagonalization_h_dressed.irp.f @@ -119,7 +119,7 @@ subroutine davidson_diag_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,N_st,N_st_dia include 'constants.include.F' N_st_diag = N_st_diag_in - !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, S, y, S_d, h, lambda + !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, y, h, lambda if (N_st_diag*3 > sze) then print *, 'error in Davidson :' print *, 'Increase n_det_max_full to ', N_st_diag*3 diff --git a/src/davidson/diagonalization_hcsf_dressed.irp.f b/src/davidson/diagonalization_hcsf_dressed.irp.f index 53c1c28a..51080df9 100644 --- a/src/davidson/diagonalization_hcsf_dressed.irp.f +++ b/src/davidson/diagonalization_hcsf_dressed.irp.f @@ -117,7 +117,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N include 'constants.include.F' N_st_diag = N_st_diag_in - !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, S, y, S_d, h, lambda + !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, y, h, lambda if (N_st_diag*3 > sze) then print *, 'error in Davidson :' print *, 'Increase n_det_max_full to ', N_st_diag*3 @@ -231,7 +231,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N 8, fd_w, .False., ptr_w) call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/)) else - allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax),) + allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax)) endif allocate( &