| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_ri_gpw.F | 99 max_ij_pairs, min_integ_group_size, my_B_size, my_B_size_beta, my_B_virtual_end, & local
180 my_B_virtual_end_beta = my_B_virtual_end
677 my_B_virtual_start, my_B_virtual_end, gd_array%sizes, gd_B_virtual, &
685 my_B_virtual_start, my_B_virtual_end, gd_array%sizes, gd_B_virtual, &
1392 my_B_virtual_end, my_B_virtual_start, my_group_L_size, & argument
1660 my_B_virtual_end), my_B_size)
1677 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1686 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1793 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1877 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
[all …]
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| H A D | mp2_gpw_method.F | 144 my_A_batch_size, my_A_virtual_end, my_A_virtual_start, my_B_size, my_B_virtual_end, & local
363 my_B_virtual_end = my_B_virtual_start + vector_B_sizes(para_env_sub%mepos) - 1
520 my_B_virtual_end, my_B_virtual_start)
700 my_B_virtual_end, my_B_virtual_start) argument
707 INTEGER, INTENT(IN) :: my_B_virtual_end, my_B_virtual_start local
735 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
775 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
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| H A D | mp2_integrals.F | 243 my_B_virtual_end, my_B_virtual_end_beta, my_B_virtual_start, my_B_virtual_start_beta, & local
338 …CALL get_group_dist(gd_B_virtual, para_env_sub%mepos, my_B_virtual_start, my_B_virtual_end, my_B_s…
599 … local_col_row_info, my_B_virtual_end, my_B_virtual_start, "alpha")
686 … local_col_row_info, my_B_virtual_end, my_B_virtual_start, "alpha")
1557 my_B_virtual_end, my_B_virtual_start) argument
1564 INTEGER, INTENT(IN) :: my_B_virtual_end, my_B_virtual_start local
1592 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
1632 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
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| H A D | mp2_ri_grad.F | 1221 my_B_virtual_end, my_B_virtual_start, mypcol, mypcol_1i, mypcol_2a, myprow, myprow_1i, & local
1845 my_B_virtual_end = itmp(2)
1881 …IF ((my_B_virtual_start <= i_global - homo .AND. i_global - homo <= my_B_virtual_end) .AND. (j_glo…
1889 …IF ((my_B_virtual_start <= i_global - homo .AND. i_global - homo <= my_B_virtual_end) .AND. (j_glo…
1937 IF (.NOT. (my_B_virtual_start <= i_global .AND. i_global <= my_B_virtual_end)) CYCLE
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_ri_gpw.F | 99 max_ij_pairs, min_integ_group_size, my_B_size, my_B_size_beta, my_B_virtual_end, & local
180 my_B_virtual_end_beta = my_B_virtual_end
677 my_B_virtual_start, my_B_virtual_end, gd_array%sizes, gd_B_virtual, &
685 my_B_virtual_start, my_B_virtual_end, gd_array%sizes, gd_B_virtual, &
1392 my_B_virtual_end, my_B_virtual_start, my_group_L_size, & argument
1660 my_B_virtual_end), my_B_size)
1677 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1686 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1793 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
1877 t_ab(my_B_virtual_start:my_B_virtual_end, 1:my_B_size), my_B_size, &
[all …]
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| H A D | mp2_gpw_method.F | 144 my_A_batch_size, my_A_virtual_end, my_A_virtual_start, my_B_size, my_B_virtual_end, & local
363 my_B_virtual_end = my_B_virtual_start + vector_B_sizes(para_env_sub%mepos) - 1
520 my_B_virtual_end, my_B_virtual_start)
700 my_B_virtual_end, my_B_virtual_start) argument
707 INTEGER, INTENT(IN) :: my_B_virtual_end, my_B_virtual_start local
735 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
775 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
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| H A D | mp2_integrals.F | 279 my_B_virt_bse_start, my_B_virtual_end, my_B_virtual_end_beta, my_B_virtual_start, & local
373 …CALL get_group_dist(gd_B_virtual, para_env_sub%mepos, my_B_virtual_start, my_B_virtual_end, my_B_s…
602 … local_col_row_info, my_B_virtual_end, my_B_virtual_start, "alpha")
689 … local_col_row_info, my_B_virtual_end, my_B_virtual_start, "alpha")
1696 my_B_virtual_end, my_B_virtual_start) argument
1703 INTEGER, INTENT(IN) :: my_B_virtual_end, my_B_virtual_start local
1731 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
1771 IF (j_global >= my_B_virtual_start .AND. j_global <= my_B_virtual_end) THEN
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| H A D | mp2_ri_grad.F | 1214 my_B_virtual_end, my_B_virtual_start, mypcol, mypcol_1i, mypcol_2a, myprow, myprow_1i, & local
1838 my_B_virtual_end = itmp(2)
1874 …IF ((my_B_virtual_start <= i_global - homo .AND. i_global - homo <= my_B_virtual_end) .AND. (j_glo…
1882 …IF ((my_B_virtual_start <= i_global - homo .AND. i_global - homo <= my_B_virtual_end) .AND. (j_glo…
1930 IF (.NOT. (my_B_virtual_start <= i_global .AND. i_global <= my_B_virtual_end)) CYCLE
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