1. in lapack_atlas.f: recently added zgbtrf requires missing zlaswp

2. in invmat.f90: it is better to put the most common branch first
LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4952 c92efa57-630b-4861-b058-cf58834340f0

flib/invmat.f90

@@ -36,13 +36,14 @@ subroutine invmat (n, a, a_inv, da)
   call DGETRI (n, a_inv, lda, ipiv, work, lwork, info)
   call errore ('invmat', 'error in DGETRI', abs (info) )
   !
-  if (n == 3) then
+  if (n /= 3) then
+     da = 0.d0
+     return
+  else
      da = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2)) + &
           a(1,2)*(a(2,3)*a(3,1)-a(2,1)*a(3,3)) + &
           a(1,3)*(a(2,1)*a(3,2)-a(3,1)*a(2,2))
      IF (ABS(da) < 1.d-10) CALL errore(' invmat ',' singular matrix ', 1)
-  else
-     da = 0.d0
   end if
 
   return

flib/lapack_atlas.f

@@ -53311,5 +53311,126 @@ CIBM           PREFER SCALAR
 *
       END
 
+      SUBROUTINE ZLASWP( N, A, LDA, K1, K2, IPIV, INCX )
+*
+*  -- LAPACK auxiliary routine (version 3.1) --
+*     Univ. of Tennessee, Univ. of California Berkeley and NAG Ltd..
+*     November 2006
+*
+*     .. Scalar Arguments ..
+      INTEGER            INCX, K1, K2, LDA, N
+*     ..
+*     .. Array Arguments ..
+      INTEGER            IPIV( * )
+      COMPLEX*16         A( LDA, * )
+*     ..
+*
+*  Purpose
+*  =======
+*
+*  ZLASWP performs a series of row interchanges on the matrix A.
+*  One row interchange is initiated for each of rows K1 through K2 of A.
+*
+*  Arguments
+*  =========
+*
+*  N       (input) INTEGER
+*          The number of columns of the matrix A.
+*
+*  A       (input/output) COMPLEX*16 array, dimension (LDA,N)
+*          On entry, the matrix of column dimension N to which the row
+*          interchanges will be applied.
+*          On exit, the permuted matrix.
+*
+*  LDA     (input) INTEGER
+*          The leading dimension of the array A.
+*
+*  K1      (input) INTEGER
+*          The first element of IPIV for which a row interchange will
+*          be done.
+*
+*  K2      (input) INTEGER
+*          The last element of IPIV for which a row interchange will
+*          be done.
+*
+*  IPIV    (input) INTEGER array, dimension (K2*abs(INCX))
+*          The vector of pivot indices.  Only the elements in positions
+*          K1 through K2 of IPIV are accessed.
+*          IPIV(K) = L implies rows K and L are to be interchanged.
+*
+*  INCX    (input) INTEGER
+*          The increment between successive values of IPIV.  If IPIV
+*          is negative, the pivots are applied in reverse order.
+*
+*  Further Details
+*  ===============
+*
+*  Modified by
+*   R. C. Whaley, Computer Science Dept., Univ. of Tenn., Knoxville, USA
+*
+* =====================================================================
+*
+*     .. Local Scalars ..
+      INTEGER            I, I1, I2, INC, IP, IX, IX0, J, K, N32
+      COMPLEX*16         TEMP
+*     ..
+*     .. Executable Statements ..
+*
+*     Interchange row I with row IPIV(I) for each of rows K1 through K2.
+*
+      IF( INCX.GT.0 ) THEN
+         IX0 = K1
+         I1 = K1
+         I2 = K2
+         INC = 1
+      ELSE IF( INCX.LT.0 ) THEN
+         IX0 = 1 + ( 1-K2 )*INCX
+         I1 = K2
+         I2 = K1
+         INC = -1
+      ELSE
+         RETURN
+      END IF
+*
+      N32 = ( N / 32 )*32
+      IF( N32.NE.0 ) THEN
+         DO 30 J = 1, N32, 32
+            IX = IX0
+            DO 20 I = I1, I2, INC
+               IP = IPIV( IX )
+               IF( IP.NE.I ) THEN
+                  DO 10 K = J, J + 31
+                     TEMP = A( I, K )
+                     A( I, K ) = A( IP, K )
+                     A( IP, K ) = TEMP
+   10             CONTINUE
+               END IF
+               IX = IX + INCX
+   20       CONTINUE
+   30    CONTINUE
+      END IF
+      IF( N32.NE.N ) THEN
+         N32 = N32 + 1
+         IX = IX0
+         DO 50 I = I1, I2, INC
+            IP = IPIV( IX )
+            IF( IP.NE.I ) THEN
+               DO 40 K = N32, N
+                  TEMP = A( I, K )
+                  A( I, K ) = A( IP, K )
+                  A( IP, K ) = TEMP
+   40          CONTINUE
+            END IF
+            IX = IX + INCX
+   50    CONTINUE
+      END IF
+*
+      RETURN
+*
+*     End of ZLASWP
+*
+      END
+
+
 
 * end these routines for w90 *