When compiling Molpro with pgi 14.2 (and 14.1) there are many compilation failures. I’ve cut down an example:
SubRoutine SOFSh1(nShBF,nSkal,nSym,nSD,iSD)
Implicit Real*8 (A-H,O-Z)
Integer, Parameter :: iTabMx=15
integer, parameter :: mxatom=200
integer, parameter :: maxbfn=4095
Integer, Parameter :: MaxBfn_Aux=7*MaxBfn
Integer, Parameter :: MxUnq=MaxBfn+MaxBfn_Aux
Integer, Parameter :: MxShll=iTabMx*MxAtom
Integer IrrCmp(MxUnq)
Integer IndS(MxShll)
Common /Info/ IrrCmp, IndS
Integer nShBF(0:nSym-1,nSkal),iSD(0:nSD,nSkal)
Do iSkal = 1, nSkal
iShell = iSD(11,iSkal)
iCmp = iSD( 2,iSkal)
Do i=1, iCmp
Do irp=0, nSym-1
If (iAnd(IrrCmp(IndS(iShell)+i),2**irp).ne.0) Then
nShBF(irp,iSkal) = nShBF(irp,iSkal)+ iSD(3,iSkal)
End If
End Do
End Do
End Do
Return
End
which if compiled gives:
> pgf90 -c -i8 -fastsse test.f
PGF90-F-0000-Internal compiler error. make_cvect_cmp_vili(): bad predicate 312 (test.f: 20)
The bug only occurs when using both -i8 and -fastsse; remove either of those flags and the file will compile.
Can you take a look?
Thanks,
Andy