/dports/devel/mingw32-gcc/gcc-4.8.1/gcc/testsuite/gfortran.dg/ |
H A D | empty_format_1.f90 | 8 integer io_unit variable 10 io_unit = 10 11 open (unit=io_unit,status='scratch',form='formatted') 12 write (io_unit, '(A)') "Line1" 13 write (io_unit, '(A)') "Line2" 14 write (io_unit, '(A)') "Line3" 15 rewind (io_unit) 16 read (io_unit,'(A)') str 18 read (io_unit,'()') 19 read (io_unit,'(A)') str [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/tensors/ |
H A D | dbcsr_tensor_test.F | 202 io_unit = 0 209 IF (io_unit > 0) THEN 210 WRITE (io_unit, *) 222 WRITE (io_unit, *) 236 WRITE (io_unit, *) 594 io_unit = -1 601 IF (io_unit > 0) THEN 602 WRITE (io_unit, *) 610 IF (io_unit > 0) THEN 742 IF (io_unit > 0) WRITE (io_unit, *) 'Test failed!', eql_diff [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/tests/ |
H A D | dbcsr_performance_multiply.F | 92 WRITE (io_unit, *) " M N K \\" 247 IF (io_unit .GT. 0) THEN 258 WRITE (io_unit, *) 'trans ', trans 263 WRITE (io_unit, *) 'limits', limits 265 WRITE (io_unit, *) 'nrep', nrep 266 WRITE (io_unit, *) 'bs_m', bs_m 267 WRITE (io_unit, *) 'bs_n', bs_n 268 WRITE (io_unit, *) 'bs_k', bs_k 637 IF (io_unit .GT. 0) THEN 678 WRITE (io_unit, *) [all …]
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H A D | dbcsr_unittest1.F | 36 prow, pcol, io_unit, handle variable 66 io_unit = 0 67 IF (mynode .EQ. 0) io_unit = default_output_unit 71 CALL dbcsr_init_lib(mp_comm, io_unit) 83 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 25/), & 90 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50/), & 99 group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), & 106 group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), & 113 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), & 120 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), & [all …]
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H A D | dbcsr_test_add.F | 110 IF (io_unit .GT. 0) THEN 122 WRITE (io_unit, *) 'alpha', alpha 123 WRITE (io_unit, *) 'beta', beta 124 WRITE (io_unit, *) 'limits', limits 126 WRITE (io_unit, *) 'bs_m', bs_m 127 WRITE (io_unit, *) 'bs_n', bs_n 323 IF (io_unit .GT. 0) THEN 325 WRITE (io_unit, *) REPEAT("*", 70) 331 WRITE (io_unit, *) REPEAT("*", 70) 333 WRITE (io_unit, *) REPEAT("*", 70) [all …]
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H A D | dbcsr_unittest3.F | 36 prow, pcol, io_unit, handle variable 64 io_unit = 0 65 IF (mynode .EQ. 0) io_unit = default_output_unit 69 CALL dbcsr_init_lib(mp_comm, io_unit) 82 group, mp_env, npdims, io_unit, matrix_sizes=(/496, 48, 48/), & 88 group, mp_env, npdims, io_unit, matrix_sizes=(/496, 48, 48/), & 94 group, mp_env, npdims, io_unit, matrix_sizes=(/506, 44, 44/), & 100 group, mp_env, npdims, io_unit, matrix_sizes=(/504, 42, 42/), & 106 group, mp_env, npdims, io_unit, matrix_sizes=(/525, 75, 75/), & 112 group, mp_env, npdims, io_unit, matrix_sizes=(/552, 46, 46/), & [all …]
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H A D | dbcsr_test_multiply.F | 136 IF (io_unit .GT. 0) THEN 148 WRITE (io_unit, *) 'alpha', alpha 149 WRITE (io_unit, *) 'beta', beta 150 WRITE (io_unit, *) 'limits', limits 152 WRITE (io_unit, *) 'bs_m', bs_m 153 WRITE (io_unit, *) 'bs_n', bs_n 154 WRITE (io_unit, *) 'bs_k', bs_k 391 WRITE (io_unit, *) REPEAT("*", 70) 398 WRITE (io_unit, *) REPEAT("*", 70) 492 IF (io_unit .GT. 0) THEN [all …]
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H A D | dbcsr_unittest2.F | 36 prow, pcol, io_unit, handle variable 64 io_unit = 0 65 IF (mynode .EQ. 0) io_unit = default_output_unit 69 CALL dbcsr_init_lib(mp_comm, io_unit) 83 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 500, 500/), & 90 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 50, 50/), & 98 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 50, 50/), & 105 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 500/), &
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H A D | dbcsr_unittest4.F | 35 prow, pcol, io_unit, handle variable 63 io_unit = 0 64 IF (mynode .EQ. 0) io_unit = default_output_unit 68 CALL dbcsr_init_lib(mp_comm, io_unit) 79 group, mp_env, npdims, io_unit, matrix_size=[20, 20], & 86 group, mp_env, npdims, io_unit, matrix_size=[30, 20], & 91 group, mp_env, npdims, io_unit, matrix_size=[20, 30], &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tensors/ |
H A D | dbcsr_tensor_test.F | 216 io_unit = 0 223 IF (io_unit > 0) THEN 224 WRITE (io_unit, *) 236 WRITE (io_unit, *) 250 WRITE (io_unit, *) 641 io_unit = -1 648 IF (io_unit > 0) THEN 649 WRITE (io_unit, *) 657 IF (io_unit > 0) THEN 789 IF (io_unit > 0) WRITE (io_unit, *) 'Test failed!', eql_diff [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/tests/ |
H A D | dbcsr_performance_multiply.F | 95 WRITE (io_unit, *) " M N K \\" 251 IF (io_unit .GT. 0) THEN 262 WRITE (io_unit, *) 'trans ', trans 267 WRITE (io_unit, *) 'limits', limits 269 WRITE (io_unit, *) 'nrep', nrep 270 WRITE (io_unit, *) 'bs_m', bs_m 271 WRITE (io_unit, *) 'bs_n', bs_n 272 WRITE (io_unit, *) 'bs_k', bs_k 642 IF (io_unit .GT. 0) THEN 683 WRITE (io_unit, *) [all …]
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H A D | dbcsr_unittest1.F | 35 prow, pcol, io_unit, handle variable 65 io_unit = 0 66 IF (mynode .EQ. 0) io_unit = default_output_unit 70 CALL dbcsr_init_lib(mp_comm, io_unit) 82 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 25/), & 89 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50/), & 98 group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), & 105 group, mp_env, npdims, io_unit, matrix_sizes=(/20, 20, 20/), & 112 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), & 119 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 50/), & [all …]
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H A D | dbcsr_test_add.F | 111 IF (io_unit .GT. 0) THEN 123 WRITE (io_unit, *) 'alpha', alpha 124 WRITE (io_unit, *) 'beta', beta 125 WRITE (io_unit, *) 'limits', limits 127 WRITE (io_unit, *) 'bs_m', bs_m 128 WRITE (io_unit, *) 'bs_n', bs_n 324 IF (io_unit .GT. 0) THEN 326 WRITE (io_unit, *) REPEAT("*", 70) 332 WRITE (io_unit, *) REPEAT("*", 70) 334 WRITE (io_unit, *) REPEAT("*", 70) [all …]
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H A D | dbcsr_unittest3.F | 34 prow, pcol, io_unit, handle variable 62 io_unit = 0 63 IF (mynode .EQ. 0) io_unit = default_output_unit 67 CALL dbcsr_init_lib(mp_comm, io_unit) 80 group, mp_env, npdims, io_unit, matrix_sizes=(/496, 48, 48/), & 86 group, mp_env, npdims, io_unit, matrix_sizes=(/496, 48, 48/), & 92 group, mp_env, npdims, io_unit, matrix_sizes=(/506, 44, 44/), & 98 group, mp_env, npdims, io_unit, matrix_sizes=(/504, 42, 42/), & 104 group, mp_env, npdims, io_unit, matrix_sizes=(/525, 75, 75/), & 110 group, mp_env, npdims, io_unit, matrix_sizes=(/552, 46, 46/), & [all …]
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H A D | dbcsr_test_multiply.F | 137 IF (io_unit .GT. 0) THEN 149 WRITE (io_unit, *) 'alpha', alpha 150 WRITE (io_unit, *) 'beta', beta 151 WRITE (io_unit, *) 'limits', limits 153 WRITE (io_unit, *) 'bs_m', bs_m 154 WRITE (io_unit, *) 'bs_n', bs_n 155 WRITE (io_unit, *) 'bs_k', bs_k 392 WRITE (io_unit, *) REPEAT("*", 70) 399 WRITE (io_unit, *) REPEAT("*", 70) 493 IF (io_unit .GT. 0) THEN [all …]
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H A D | dbcsr_unittest2.F | 34 prow, pcol, io_unit, handle variable 62 io_unit = 0 63 IF (mynode .EQ. 0) io_unit = default_output_unit 67 CALL dbcsr_init_lib(mp_comm, io_unit) 81 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 500, 500/), & 88 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 50, 50/), & 96 group, mp_env, npdims, io_unit, matrix_sizes=(/500, 50, 50/), & 103 group, mp_env, npdims, io_unit, matrix_sizes=(/50, 50, 500/), &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/tmc/ |
H A D | tmc_master.F | 140 WRITE (tmc_env%m_env%io_unit, *) & 413 WRITE (tmc_env%m_env%io_unit, *) & 618 WRITE (tmc_env%m_env%io_unit, *) & 664 WRITE (tmc_env%m_env%io_unit, *) & 692 WRITE (tmc_env%m_env%io_unit, *) & 724 WRITE (tmc_env%m_env%io_unit, *) & 793 WRITE (tmc_env%m_env%io_unit, *) & 795 WRITE (tmc_env%m_env%io_unit, *) & 884 WRITE (tmc_env%m_env%io_unit, *) & 887 WRITE (tmc_env%m_env%io_unit, *) & [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/tmc/ |
H A D | tmc_master.F | 140 WRITE (tmc_env%m_env%io_unit, *) & 413 WRITE (tmc_env%m_env%io_unit, *) & 618 WRITE (tmc_env%m_env%io_unit, *) & 664 WRITE (tmc_env%m_env%io_unit, *) & 692 WRITE (tmc_env%m_env%io_unit, *) & 724 WRITE (tmc_env%m_env%io_unit, *) & 793 WRITE (tmc_env%m_env%io_unit, *) & 795 WRITE (tmc_env%m_env%io_unit, *) & 884 WRITE (tmc_env%m_env%io_unit, *) & 887 WRITE (tmc_env%m_env%io_unit, *) & [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/core/ |
H A D | dbcsr_lib.F | 106 SUBROUTINE dbcsr_init_lib_def(mp_comm, io_unit, accdrv_active_device_id) argument 109 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 113 IF (.NOT. ASSOCIATED(logger) .AND. PRESENT(io_unit)) ext_io_unit = io_unit 116 CALL dbcsr_init_lib_pre(mp_comm, io_unit, accdrv_active_device_id) 137 in_abort_hook, in_warn_hook, io_unit, & argument 145 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 149 IF (.NOT. ASSOCIATED(logger) .AND. PRESENT(io_unit)) ext_io_unit = io_unit 152 CALL dbcsr_init_lib_pre(mp_comm, io_unit, accdrv_active_device_id) 172 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 182 IF (PRESENT(io_unit)) THEN [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/core/ |
H A D | dbcsr_lib.F | 109 SUBROUTINE dbcsr_init_lib_def(mp_comm, io_unit, accdrv_active_device_id) argument 112 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 116 IF (.NOT. ASSOCIATED(logger) .AND. PRESENT(io_unit)) ext_io_unit = io_unit 119 CALL dbcsr_init_lib_pre(mp_comm, io_unit, accdrv_active_device_id) 140 in_abort_hook, in_warn_hook, io_unit, & argument 148 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 152 IF (.NOT. ASSOCIATED(logger) .AND. PRESENT(io_unit)) ext_io_unit = io_unit 155 CALL dbcsr_init_lib_pre(mp_comm, io_unit, accdrv_active_device_id) 175 INTEGER, INTENT(IN), OPTIONAL :: io_unit, accdrv_active_device_id local 185 IF (PRESENT(io_unit)) THEN [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/fm/ |
H A D | cp_fm_elpa.F | 341 nblk, neig, io_unit, & local 358 io_unit = cp_logger_get_default_io_unit(logger) 377 IF (io_unit > 0 .AND. ANY(ncol_locals == 0)) THEN 378 CALL rdinfo%write(io_unit) 379 CALL cp_fm_write_info(matrix, io_unit) 411 IF (io_unit > 0 .AND. elpa_should_print) THEN 412 WRITE(io_unit, '(/,A)') "ELPA| Matrix diagonalization information" 420 WRITE(io_unit, '(A,I14)') "ELPA| Matrix order : ", n 421 WRITE(io_unit, '(A,I14)') "ELPA| Matrix block size : ", nblk 423 WRITE(io_unit, '(A,L14)') "ELPA| QR step requested : ", elpa_qr [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/fm/ |
H A D | cp_fm_elpa.F | 341 nblk, neig, io_unit, & local 358 io_unit = cp_logger_get_default_io_unit(logger) 377 IF (io_unit > 0 .AND. ANY(ncol_locals == 0)) THEN 378 CALL rdinfo%write(io_unit) 379 CALL cp_fm_write_info(matrix, io_unit) 411 IF (io_unit > 0 .AND. elpa_should_print) THEN 412 WRITE (io_unit, '(/,A)') "ELPA| Matrix diagonalization information" 420 WRITE (io_unit, '(A,I14)') "ELPA| Matrix order : ", n 421 WRITE (io_unit, '(A,I14)') "ELPA| Matrix block size : ", nblk 423 WRITE (io_unit, '(A,L14)') "ELPA| QR step requested : ", elpa_qr [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/tas/ |
H A D | dbcsr_tas_test.F | 191 IF (PRESENT(io_unit)) THEN 192 IF (io_unit > 0) THEN 201 IF (PRESENT(io_unit)) THEN 202 IF (io_unit > 0) THEN 254 IF (PRESENT(io_unit)) THEN 255 IF (io_unit > 0) THEN 263 IF (PRESENT(io_unit)) THEN 264 IF (io_unit > 0) THEN 308 io_unit = -1 309 IF (mynode .EQ. 0) io_unit = unit_nr [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tas/ |
H A D | dbcsr_tas_test.F | 191 IF (PRESENT(io_unit)) THEN 192 IF (io_unit > 0) THEN 201 IF (PRESENT(io_unit)) THEN 202 IF (io_unit > 0) THEN 254 IF (PRESENT(io_unit)) THEN 255 IF (io_unit > 0) THEN 263 IF (PRESENT(io_unit)) THEN 264 IF (io_unit > 0) THEN 308 io_unit = -1 309 IF (mynode .EQ. 0) io_unit = unit_nr [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xtb_types.F | 331 INTEGER :: i, io_unit, m, natorb, nshell local 345 io_unit = cp_print_key_unit_nr(logger, subsys_section, "PRINT%KINDS", & 348 IF (io_unit > 0) THEN 355 WRITE (UNIT=io_unit, FMT="(/,A,T67,A14)") " xTB parameters: ", TRIM(aname) 358 WRITE (UNIT=io_unit, FMT="(T16,A,T71,F10.2)") "Effective core charge:", zeff 359 WRITE (UNIT=io_unit, FMT="(T16,A,T71,I10)") "Number of orbitals:", natorb 366 WRITE (UNIT=io_unit, FMT="(T16,A,T71,F10.3)") "Electronegativity", en 367 WRITE (UNIT=io_unit, FMT="(T16,A,T71,F10.3)") "Mataga-Nishimoto constant (eta)", eta 369 WRITE (UNIT=io_unit, FMT="(T16,A,T71,F10.3)") "3rd Order constant", xgamma 372 WRITE (UNIT=io_unit, FMT="(T55,A)") "Parameters are not defined" [all …]
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