Seems OK

Makefile

@@ -1,6 +1,7 @@
-IRPF90 = irpf90  -a #-d
+IRPF90 = irpf90 # -a #-d
 FC     = ifort 
-FCFLAGS= -O3 -xP
+FCFLAGS= -O2 #-xT -fast-transcendentals
+
 
 SRC=
 OBJ=

debug.irp.f

@@ -1,10 +1,9 @@
 program debug
  implicit none
- double precision :: ao_overlap
+ double precision :: eplf_integral, ao_overlap
+ PROVIDE ao_prim_num_max
  integer :: i,j
- do i=1,ao_num
-  do j=1,ao_num
-   print *, i,j, ao_overlap_matrix(i,j)
-  enddo
- enddo
+ read(*,*) i,j
+ print *,  eplf_integral(i,j,eplf_gamma,point)
+ print *,  ao_overlap(i,j)
 end

overlap.irp.f

@@ -33,8 +33,8 @@ double precision function primitive_overlap_oneD(a,xa,i,b,xb,j)
  integer :: ii, jj, kk, ll
  real :: xp
  real :: p
- double precision :: S(0:i,0:j)
- double precision :: inv_p, di(i), dj(j)
+ double precision :: S(0:i+1,0:j)
+ double precision :: inv_p, di(max(i,j)), dj(j)
 
  ASSERT (a>0.)
  ASSERT (b>0.)
@@ -74,7 +74,8 @@ double precision function primitive_overlap_oneD(a,xa,i,b,xb,j)
  endif
 
  do jj=1,j
-  do ii=1,i
+  S(1,jj) = (xp-xa) * S(0,jj) + di(jj) * S(0,jj-1)
+  do ii=2,i
    S(ii,jj) = (xp-xa) * S(ii-1,jj) + di(ii-1) * S(ii-2,jj) + di(jj) * S(ii-1,jj-1)
   enddo
  enddo

test/QCIO_File/random/number

@@ -1 +1 @@
-   0.980820489500000E+10
+   0.539373520750000E+11

test/QCIO_File/simulation/time_step

@@ -1 +1 @@
-   2.000000000000000E-01
+   0.596046447753906E+00

test/QCIO_File/walker/num_walk

@@ -1 +1 @@
-               1000
+                 10