diff options
Diffstat (limited to 'var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch')
| -rw-r--r-- | var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch | 42 |
1 files changed, 42 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch b/var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch new file mode 100644 index 0000000000..153bcf2ef5 --- /dev/null +++ b/var/spack/repos/builtin/packages/quantum-espresso/dspev_drv_elpa.patch @@ -0,0 +1,42 @@ +diff -ruN LAXlib-orig/dspev_drv.f90 LAXlib/dspev_drv.f90 +--- a/LAXlib/dspev_drv.f90 2017-06-12 15:00:46.157372185 +0200 ++++ b/LAXlib/dspev_drv.f90 2017-06-12 15:01:19.937371580 +0200 +@@ -708,11 +708,11 @@ + + #if defined(__ELPA_2016) + ! -> ELPA 2016.11.001_pre +- ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) +- success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols, ortho_comm) ++ !ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) ++ !success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols, ortho_comm) + ! -> ELPA 2016.05.003 +- !ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) +- !success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols) ++ ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) ++ success = solve_evp_real_1stage(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols) + #elif defined(__ELPA_2015) + ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) + ierr = solve_evp_real(n, n, s, lds, w, vv, lds,SIZE(s,2),nb ,mpi_comm_rows, mpi_comm_cols) +diff -ruN LAXlib-orig/zhpev_drv.f90 LAXlib/zhpev_drv.f90 +--- a/LAXlib/zhpev_drv.f90 2017-06-12 15:00:46.157372185 +0200 ++++ b/LAXlib/zhpev_drv.f90 2017-06-12 15:02:09.309370696 +0200 +@@ -1519,13 +1519,13 @@ + + #if defined(__ELPA_2016) + ! -> ELPA 2016.11.001_pre +- ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) +- success = solve_evp_complex_1stage_double(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, & +- mpi_comm_rows, mpi_comm_cols, ortho_comm) ++ !ierr = elpa_get_communicators(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) ++ !success = solve_evp_complex_1stage_double(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, & ++ ! mpi_comm_rows, mpi_comm_cols, ortho_comm) + ! -> ELPA 2016.05.003 +- !ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) +- !success = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, & +- ! mpi_comm_rows, mpi_comm_cols) ++ ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) ++ success = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, & ++ mpi_comm_rows, mpi_comm_cols) + #elif defined(__ELPA_2015) + ierr = get_elpa_row_col_comms(ortho_comm, my_prow, my_pcol,mpi_comm_rows, mpi_comm_cols) + ierr = solve_evp_complex(n, n, h, size(h,1), w, v, size(h,1), size(h,2), nb, & |