mirror of https://gitlab.com/QEF/q-e.git
fixing non-MPI build issues with EPW
This commit is contained in:
parent
661774209f
commit
ad3e4b6712
|
@ -1673,6 +1673,8 @@
|
|||
!
|
||||
CHARACTER(LEN = 256) :: filint
|
||||
!! Name of the file to write/read
|
||||
LOGICAL :: exst
|
||||
!! If the file exist
|
||||
INTEGER :: iq
|
||||
!! Counter on q-point
|
||||
INTEGER :: ir
|
||||
|
|
|
@ -850,8 +850,14 @@
|
|||
!! Dummy counter for k-points
|
||||
INTEGER :: ibtmp
|
||||
!! Dummy counter for bands
|
||||
INTEGER :: direct_io_factor
|
||||
!! Direct IO
|
||||
INTEGER(KIND = i4b) :: dum_int
|
||||
!! Dummy integer
|
||||
INTEGER(KIND = 8) :: nind
|
||||
!! Number of local elements per cores.
|
||||
INTEGER(KIND = 8) :: unf_recl
|
||||
!! double precision to prevent integer overflow
|
||||
INTEGER(KIND = i4b), ALLOCATABLE :: sparse_q(:)
|
||||
!! Index mapping for q-points
|
||||
INTEGER(KIND = i4b), ALLOCATABLE :: sparse_k(:)
|
||||
|
|
|
@ -42,7 +42,8 @@
|
|||
twopi, ci, eps6, eps16
|
||||
USE io_files, ONLY : prefix, tmp_dir
|
||||
USE io_global, ONLY : stdout
|
||||
USE io_var, ONLY : iuntaucb, iunepmatwp2, iunrestart, iuntau
|
||||
USE io_var, ONLY : iuntaucb, iunepmatwp, iunepmatwp2, iunrestart, &
|
||||
iuntau
|
||||
USE global_var, ONLY : ifc, do_cutoff_2D_epw, chw, chw_ks, adapt_smearing, &
|
||||
wf, etf, etf_ks, xqf, xkf, wkf, nqtotf, nkqf, epf17,&
|
||||
nkf, nqf, ibndmin, ibndmax, lambda_all, vmef, &
|
||||
|
@ -206,6 +207,12 @@
|
|||
!! To restart opening files
|
||||
INTEGER :: lrepmatw5_restart(npool)
|
||||
!! To restart opening files
|
||||
INTEGER :: lrepmatw
|
||||
!! record length while reading file
|
||||
INTEGER*8 :: unf_recl
|
||||
!! Record length
|
||||
INTEGER :: direct_io_factor
|
||||
!! Type of IOlength
|
||||
INTEGER, PARAMETER :: nrwsx = 200
|
||||
!! Maximum number of real-space Wigner-Seitz
|
||||
#if defined(__MPI)
|
||||
|
@ -231,6 +238,8 @@
|
|||
!! Real-space wigner-Seitz vectors
|
||||
REAL(KIND = DP) :: atws(3, 3)
|
||||
!! Maximum vector: at*nq
|
||||
REAL(KIND = DP) :: dummy(3)
|
||||
!! Dummy variable
|
||||
REAL(KIND = DP) :: etemp
|
||||
!! Temperature in Ry (this includes division by kb)
|
||||
REAL(KIND = DP) :: etemp_fca
|
||||
|
|
|
@ -1879,7 +1879,7 @@
|
|||
USE input, ONLY : etf_mem, use_ws, lopt_w2b, epw_memdist
|
||||
USE global_var, ONLY : epmatwp
|
||||
USE ep_constants, ONLY : twopi, ci, czero, cone
|
||||
USE io_var, ONLY : iunepmatwp2
|
||||
USE io_var, ONLY : iunepmatwp, iunepmatwp2
|
||||
USE mp, ONLY : mp_sum, mp_bcast
|
||||
USE mp_world, ONLY : world_comm, mpime
|
||||
USE io_global, ONLY : ionode_id
|
||||
|
|
Loading…
Reference in New Issue