9defe2c1c2
* espresso: fixed compilation for 6.1 (elpa) and added support for hdf5 * espresso: addressed items in @davydden review * espresso: fixed behavior for espresso@:5.4.0
43 lines
2.9 KiB
Diff
43 lines
2.9 KiB
Diff
diff -ruN LAXlib-orig/dspev_drv.f90 LAXlib/dspev_drv.f90
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--- a/LAXlib/dspev_drv.f90 2017-06-12 15:00:46.157372185 +0200
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+++ b/LAXlib/dspev_drv.f90 2017-06-12 15:01:19.937371580 +0200
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@@ -708,11 +708,11 @@
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#if defined(__ELPA_2016)
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! -> ELPA 2016.11.001_pre
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- ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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- success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols, ortho_comm)
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+ !ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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+ !success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols, ortho_comm)
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! -> ELPA 2016.05.003
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- !ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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- !success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols)
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+ ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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+ success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols)
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#elif defined(__ELPA_2015)
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ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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ierr = solve_evp_real(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols)
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diff -ruN LAXlib-orig/zhpev_drv.f90 LAXlib/zhpev_drv.f90
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--- a/LAXlib/zhpev_drv.f90 2017-06-12 15:00:46.157372185 +0200
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+++ b/LAXlib/zhpev_drv.f90 2017-06-12 15:02:09.309370696 +0200
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@@ -1519,13 +1519,13 @@
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#if defined(__ELPA_2016)
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! -> ELPA 2016.11.001_pre
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- ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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- success = solve_evp_complex_1stage_double(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, &
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- mpi_comm_rows, mpi_comm_cols, ortho_comm)
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+ !ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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+ !success = solve_evp_complex_1stage_double(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, &
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+ ! mpi_comm_rows, mpi_comm_cols, ortho_comm)
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! -> ELPA 2016.05.003
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- !ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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- !success = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, &
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- ! mpi_comm_rows, mpi_comm_cols)
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+ ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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+ success = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, &
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+ mpi_comm_rows, mpi_comm_cols)
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#elif defined(__ELPA_2015)
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ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols)
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ierr = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, &
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