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Fix warnings from Cray compiler

We still need a fix for the warning in rpa_im_time.F.
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fstein93 authored and alazzaro committed May 15, 2019
1 parent 1d3c4ef commit cbea402600572671c9b3295a276266ac0a366e21
Showing with 7 additions and 7 deletions.
  1. +4 −4 src/almo_scf_optimizer.F
  2. +2 −2 src/iterate_matrix.F
  3. +1 −1 src/rpa_ri_gpw.F
@@ -33,6 +33,8 @@ MODULE almo_scf_optimizer
cp_dbcsr_cholesky_invert,&
cp_dbcsr_cholesky_restore
USE cp_external_control, ONLY: external_control
USE cp_files, ONLY: close_file,&
open_file
USE cp_log_handling, ONLY: cp_get_default_logger,&
cp_logger_get_default_unit_nr,&
cp_logger_type
@@ -5246,7 +5248,6 @@ SUBROUTINE print_mathematica_matrix(matrix, filename)
routineP = moduleN//':'//routineN

CHARACTER(LEN=20) :: formatstr, Scols
CHARACTER(LEN=200) :: logfile
INTEGER :: col, fiunit, handle, hori_offset, jj, &
nblkcols_tot, nblkrows_tot, Ncols, &
ncores, Nrows, row, unit_nr, &
@@ -5322,14 +5323,13 @@ SUBROUTINE print_mathematica_matrix(matrix, filename)
CALL dbcsr_release(matrix_asym)

IF (unit_nr > 0) THEN
logfile = TRIM(ADJUSTL(filename))
OPEN (fiunit, file=logfile, status='REPLACE')
CALL open_file(filename, unit_number=fiunit, file_status='REPLACE')
WRITE (Scols, "(I10)") Ncols
formatstr = "("//TRIM(Scols)//"E27.17)"
DO jj = 1, Nrows
WRITE (fiunit, formatstr) H(jj, :)
ENDDO
CLOSE (fiunit)
CALL close_file(fiunit)
ENDIF

DEALLOCATE (mo_block_sizes)
@@ -72,7 +72,7 @@ RECURSIVE SUBROUTINE determinant(matrix, det, threshold)

INTEGER :: handle, i, max_iter_lanczos, nsize, &
order_lanczos, sign_iter, unit_nr
INTEGER(KIND=int_8) :: flop1, flop2
INTEGER(KIND=int_8) :: flop1
INTEGER, SAVE :: recursion_depth = 0
REAL(KIND=dp) :: det0, eps_lanczos, frobnorm, maxnorm, &
occ_matrix, t1, t2, trace
@@ -206,7 +206,7 @@ RECURSIVE SUBROUTINE determinant(matrix, det, threshold)
WRITE (unit_nr, '(T6,A,1X,I3,1X,F7.5,F16.10,F10.3,F11.3)') &
"Determinant iter", i, occ_matrix, &
det, t2-t1, &
(flop1+flop2)/(1.0E6_dp*MAX(0.001_dp, t2-t1))
flop1/(1.0E6_dp*MAX(0.001_dp, t2-t1))
CALL m_flush(unit_nr)
ENDIF

@@ -6882,7 +6882,7 @@ END SUBROUTINE get_l_sq_wghts_cos_tf_w_to_t
SUBROUTINE calc_max_error_fit_omega_grid_with_cosine(max_error, tau, omega_tj, omega_wj_work, x_values, &
y_values, num_integ_points, num_x_nodes)

REAL(KIND=dp), INTENT(OUT) :: max_error
REAL(KIND=dp), INTENT(INOUT) :: max_error
REAL(KIND=dp), INTENT(IN) :: tau
REAL(KIND=dp), ALLOCATABLE, DIMENSION(:), &
INTENT(IN) :: omega_tj, omega_wj_work, x_values, &

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