[xcrysden] xcrysden and Gfortran 8.2.0

Nick Papior nickpapior at gmail.com
Tue Oct 30 09:08:04 CET 2018


Dear XCrySDen dev's,

Using the Gfortran 8.2.0 compiler the compilation of xcrysden fails due to
an interface mismatch with passed array dimensions in F/gengeom.f

This small patch should resolve the problem:

--- old/xcrysden-1.5.60/F/gengeom.f 2012-02-03 11:53:05.000000000 +0100
+++ xcrysden-1.5.60/F/gengeom.f 2018-10-30 08:58:33.624408287 +0100
@@ -905,9 +905,9 @@

       SUBROUTINE GETCCOOR(A33,B33,BROW,X,Y,Z,XC,YC,ZC,NA,NATR)
       include 'param.inc'
-      REAL*8 B33(3,4),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR),Z(NATR),
-     *     XC(NAC,4),YC(NAC,4),ZC(NAC,4),RX(3)
       INTEGER BROW
+      REAL*8 B33(3,BROW),A33(3,3),RA(3,3),COOR(3),X(NATR),Y(NATR),
+     *     Z(NATR),XC(NAC,4),YC(NAC,4),ZC(NAC,4),RX(3)

 C     ********
 C     ATTENTION: HERE WE HAVE MULT. OFF "SAME-LAYING" ELEMENTS,


-- 
Kind regards Nick
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