- adding missing interfaces for non scalapack build

LAXlib/cdiaghg.f90

@@ -215,6 +215,7 @@ SUBROUTINE laxlib_pcdiaghg( n, h, s, ldh, e, v, idesc )
   IMPLICIT NONE
   !
   include 'laxlib_param.fh'
+  include 'laxlib_mid.fh'
   include 'laxlib_low.fh'
   !
   INTEGER, INTENT(IN) :: n, ldh
@@ -280,7 +281,7 @@ SUBROUTINE laxlib_pcdiaghg( n, h, s, ldh, e, v, idesc )
 
      IF( info /= 0 ) CALL lax_error__( ' cdiaghg ', ' problems computing cholesky ', ABS( info ) )
 #else
-     CALL qe_pzpotrf( ss, nx, n, desc )
+     CALL qe_pzpotrf( ss, nx, n, idesc )
 #endif
      !
   END IF
@@ -303,7 +304,7 @@ SUBROUTINE laxlib_pcdiaghg( n, h, s, ldh, e, v, idesc )
      !
      IF( info /= 0 ) CALL lax_error__( ' cdiaghg ', ' problems computing inverse ', ABS( info ) )
 #else
-     CALL qe_pztrtri( ss, nx, n, desc )
+     CALL qe_pztrtri( ss, nx, n, idesc )
 #endif
      !
   END IF

LAXlib/laxlib_mid.fh

@@ -32,3 +32,47 @@ SUBROUTINE qe_pzheevd_x( tv, n, idesc, hh, ldh, e )
    REAL(DP) :: e( n )
 END SUBROUTINE
 END INTERFACE
+
+INTERFACE qe_pzpotrf
+SUBROUTINE qe_pzpotrf_x( sll, ldx, n, idesc )
+   implicit none
+   include 'laxlib_param.fh'
+   INTEGER, PARAMETER :: DP = selected_real_kind(14,200)
+   integer :: n, ldx
+   integer, INTENT(IN) :: idesc(LAX_DESC_SIZE)
+   complex(DP) :: sll( ldx, ldx )
+END SUBROUTINE
+END INTERFACE
+
+INTERFACE qe_pdpotrf
+SUBROUTINE qe_pdpotrf_x( sll, ldx, n, idesc )
+   implicit none
+   include 'laxlib_param.fh'
+   INTEGER, PARAMETER :: DP = selected_real_kind(14,200)
+   integer  :: n, ldx
+   INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
+   REAL(DP) :: sll( ldx, ldx )
+END SUBROUTINE
+END INTERFACE
+
+INTERFACE qe_pztrtri
+SUBROUTINE qe_pztrtri_x ( sll, ldx, n, idesc )
+   implicit none
+   include 'laxlib_param.fh'
+   INTEGER, PARAMETER :: DP = selected_real_kind(14,200)
+   INTEGER, INTENT( IN ) :: n, ldx
+   INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
+   COMPLEX(DP), INTENT( INOUT ) :: sll( ldx, ldx )
+END SUBROUTINE
+END INTERFACE
+
+INTERFACE qe_pdtrtri
+SUBROUTINE qe_pdtrtri_x ( sll, ldx, n, idesc )
+   implicit none
+   include 'laxlib_param.fh'
+   INTEGER, PARAMETER :: DP = selected_real_kind(14,200)
+   INTEGER, INTENT( IN ) :: n, ldx
+   INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
+   REAL(DP), INTENT( INOUT ) :: sll( ldx, ldx )
+END SUBROUTINE
+END INTERFACE

LAXlib/ptoolkit.f90

@@ -3178,15 +3178,17 @@ END SUBROUTINE blk2cyc_zredist_x
 !
 !
 
-SUBROUTINE qe_pzpotrf_x( sll, ldx, n, desc )
+SUBROUTINE qe_pzpotrf_x( sll, ldx, n, idesc )
    !
    USE descriptors
    USE la_param
    !
    implicit none
    !
+   include 'laxlib_param.fh'
+   !
    integer :: n, ldx
-   TYPE(la_descriptor), INTENT(IN) :: desc
+   integer, INTENT(IN) :: idesc(LAX_DESC_SIZE)
    real(DP)  :: one, zero
    complex(DP) :: sll( ldx, ldx ), cone, czero
    integer :: myrow, mycol, ierr
@@ -3197,6 +3199,7 @@ SUBROUTINE qe_pzpotrf_x( sll, ldx, n, desc )
    integer :: nr, nc
    integer :: rcomm, ccomm, color, key, myid, np
    complex(DP), allocatable :: ssnd( :, : ), srcv( :, : )
+   TYPE(la_descriptor) :: desc
 
    one   = 1.0_DP
    cone  = 1.0_DP
@@ -3205,6 +3208,8 @@ SUBROUTINE qe_pzpotrf_x( sll, ldx, n, desc )
 
 #if defined __MPI
 
+   CALL laxlib_intarray_to_desc(desc,idesc)
+
    myrow = desc%myr
    mycol = desc%myc
    myid  = desc%mype
@@ -3407,15 +3412,17 @@ END SUBROUTINE qe_pzpotrf_x
 
 !  now the Double Precision subroutine
 
-SUBROUTINE qe_pdpotrf_x( sll, ldx, n, desc )
+SUBROUTINE qe_pdpotrf_x( sll, ldx, n, idesc )
    !
    USE descriptors
    USE la_param
    !
    implicit none
    !
+   include 'laxlib_param.fh'
+   !
    integer  :: n, ldx
-   TYPE(la_descriptor), INTENT(IN) :: desc
+   INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
    REAL(DP) :: one, zero
    REAL(DP) :: sll( ldx, ldx )
    integer  :: myrow, mycol, ierr
@@ -3426,12 +3433,15 @@ SUBROUTINE qe_pdpotrf_x( sll, ldx, n, desc )
    integer  :: nr, nc
    integer  :: rcomm, ccomm, color, key, myid, np
    REAL(DP), ALLOCATABLE :: ssnd( :, : ), srcv( :, : )
+   TYPE(la_descriptor) :: desc
 
    one   = 1.0_DP
    zero  = 0.0_DP
 
 #if defined __MPI
 
+   CALL laxlib_intarray_to_desc(desc,idesc)
+
    myrow = desc%myr
    mycol = desc%myc
    myid  = desc%mype
@@ -3634,7 +3644,7 @@ END SUBROUTINE qe_pdpotrf_x
 !
 !
 
-SUBROUTINE qe_pztrtri_x ( sll, ldx, n, desc )
+SUBROUTINE qe_pztrtri_x ( sll, ldx, n, idesc )
     
     ! pztrtri computes the parallel inversion of a lower triangular matrix 
     ! distribuited among the processes using a 2-D block partitioning. 
@@ -3667,9 +3677,10 @@ SUBROUTINE qe_pztrtri_x ( sll, ldx, n, desc )
     USE la_param
 
     IMPLICIT NONE
+    INCLUDE 'laxlib_param.fh'
 
     INTEGER, INTENT( IN ) :: n, ldx
-    TYPE(la_descriptor), INTENT(IN) :: desc
+    INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
     COMPLEX(DP), INTENT( INOUT ) :: sll( ldx, ldx )
 
     COMPLEX(DP), PARAMETER :: ONE = (1.0_DP, 0.0_DP)
@@ -3692,7 +3703,9 @@ SUBROUTINE qe_pztrtri_x ( sll, ldx, n, desc )
     ! B and BUF_RECV are used to overload the computation of matrix multiplication and the shift of the blocks
     COMPLEX(DP), ALLOCATABLE, DIMENSION( :, : ) :: B, C, BUF_RECV 
     COMPLEX(DP) :: first
+    TYPE(la_descriptor) :: desc
 
+    CALL laxlib_intarray_to_desc(desc,idesc)
     myrow = desc%myr
     mycol = desc%myc
     myid  = desc%mype
@@ -3994,7 +4007,7 @@ END SUBROUTINE qe_pztrtri_x
 
 !  now the Double Precision subroutine
 
-SUBROUTINE qe_pdtrtri_x ( sll, ldx, n, desc )
+SUBROUTINE qe_pdtrtri_x ( sll, ldx, n, idesc )
     
     ! pztrtri computes the parallel inversion of a lower triangular matrix 
     ! distribuited among the processes using a 2-D block partitioning. 
@@ -4027,9 +4040,10 @@ SUBROUTINE qe_pdtrtri_x ( sll, ldx, n, desc )
     USE la_param
 
     IMPLICIT NONE
+    include 'laxlib_param.fh'
 
     INTEGER, INTENT( IN ) :: n, ldx
-    TYPE(la_descriptor), INTENT(IN) :: desc
+    INTEGER, INTENT(IN) :: idesc(LAX_DESC_SIZE)
     REAL(DP), INTENT( INOUT ) :: sll( ldx, ldx )
 
     REAL(DP), PARAMETER :: ONE = 1.0_DP
@@ -4052,6 +4066,9 @@ SUBROUTINE qe_pdtrtri_x ( sll, ldx, n, desc )
     ! B and BUF_RECV are used to overload the computation of matrix multiplication and the shift of the blocks
     REAL(DP), ALLOCATABLE, DIMENSION( :, : ) :: B, C, BUF_RECV 
     REAL(DP) :: first
+    TYPE(la_descriptor) :: desc
+
+    CALL laxlib_intarray_to_desc(desc,idesc)
 
     myrow = desc%myr
     mycol = desc%myc

LAXlib/rdiaghg.f90

@@ -204,6 +204,7 @@ SUBROUTINE laxlib_prdiaghg( n, h, s, ldh, e, v, idesc )
   !
   include 'laxlib_param.fh'
   include 'laxlib_low.fh'
+  include 'laxlib_mid.fh'
   !
   INTEGER, INTENT(IN) :: n, ldh
     ! dimension of the matrix to be diagonalized and number of eigenstates to be calculated
@@ -270,7 +271,7 @@ SUBROUTINE laxlib_prdiaghg( n, h, s, ldh, e, v, idesc )
      CALL PDPOTRF( 'L', n, ss, 1, 1, desch, info )
      IF( info /= 0 ) CALL lax_error__( ' rdiaghg ', ' problems computing cholesky ', ABS( info ) )
 #else
-     CALL qe_pdpotrf( ss, nx, n, desc )
+     CALL qe_pdpotrf( ss, nx, n, idesc )
 #endif
      !
   END IF
@@ -291,7 +292,7 @@ SUBROUTINE laxlib_prdiaghg( n, h, s, ldh, e, v, idesc )
      !
      IF( info /= 0 ) CALL lax_error__( ' rdiaghg ', ' problems computing inverse ', ABS( info ) )
 #else
-     CALL qe_pdtrtri ( ss, nx, n, desc )
+     CALL qe_pdtrtri ( ss, nx, n, idesc )
 #endif
      !
   END IF
@@ -325,7 +326,7 @@ SUBROUTINE laxlib_prdiaghg( n, h, s, ldh, e, v, idesc )
 #if defined(__SCALAPACK)
      CALL pdsyevd_drv( .true., n, desc%nrcx, hh, SIZE(hh,1), e, ortho_cntx, ortho_comm )
 #else
-     CALL qe_pdsyevd( .true., n, desc, hh, SIZE(hh,1), e )
+     CALL qe_pdsyevd( .true., n, idesc, hh, SIZE(hh,1), e )
 #endif
      !
   END IF