Compiling NWChem 6.3 on Cray XC30 (ARCHER) with Intel


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Tom
I was able to reproduce your failure with ifort 14.0.1.
I have tried ifort 14.0.3, too; ifort 14.0.3 generates correct code, instead.

You can avoid the Intel 14.0.1 failure by adding the following line just before the call to mat_reduce

!DEC$ NOINLINE


Cheers, Edo


PS. Here is a more complete diff ouput


$ svn diff hnd_elfcon.F
Index: hnd_elfcon.F
===================================================================
--- hnd_elfcon.F	(revision 25615)
+++ hnd_elfcon.F	(working copy)
@@ -90,7 +90,7 @@
                call int_1eelec(basis,ishell,basis,jshell,maxscr,
      &                         dbl_mb(k_scr),nint,dbl_mb(k_buf),
      &                         nder,points,npt)
-c
+!DEC$ NOINLINE
                call multi_reduce(dbl_mb(k_buf),dbl_mb(k_dens),
      &                           elfval,idim,jdim,npt*(max(nder*3,1)))
             end if  ! mod parallel loop