Change call exit to call abort

src/ecp.F90

@@ -37,11 +37,11 @@ subroutine oneeiecp(hstmat2,nproc,myrank,datamol,databasis)
  llmax= maxval(databasis%maxangecp(1:datamol%natom))
  if(maxbasis >= 6) then
  write(*,'(" Error! This program supports up to h function in ecp calculation.")')
- call exit
+ call abort
  endif
  if(llmax >= 5) then
  write(*,'(" Error! This program supports up to SPDFG core potentials.")')
- call exit
+ call abort
  endif
  maxecpdim= max(maxbasis,llmax-1)
  numtbasis=(maxecpdim+1)*(maxecpdim+2)*(maxecpdim+3)/6
@@ -144,7 +144,7 @@ subroutine calcintecp(hmat,term1ecp,term2ecp,term0ecp,xyzintecp,label1ecp,label2
 !
  if((nangij(1) > 6).or.(nangij(2) > 6))then
  write(*,'(" Error! This program supports up to i function in calcintecp")')
- call exit
+ call abort
  endif
 !
  do i= 1,3
@@ -3074,7 +3074,7 @@ subroutine ecpxyz(xyzintecp,maxecpdim)
 !
  if(maxdim > 24) then
  write(*,'(" Error! This program supports up to i function in Subroutine ecpxyz!")')
- call exit
+ call abort
  endif
 !
  denom= three
@@ -3196,7 +3196,7 @@ subroutine ecpangint1(term1ecp,label1ecp,num1ecp,xyzintecp,maxecpdim)
  enddo
  if(icount > nterm1) then
  write(*,'(" Error! Icount exceeds",i8," in Subroutine ecpangint1!")')nterm1
- call exit
+ call abort
  endif
 !
  return
@@ -3278,7 +3278,7 @@ subroutine ecpangint2(term2ecp,label2ecp,num2ecp,xyzintecp,maxecpdim,llmax,numtb
  enddo
  if(icount > nterm2) then
  write(*,'(" Error! Icount exceeds",i8," in Subroutine ecpangint2!")')nterm2
- call exit
+ call abort
  endif
 !
  return
@@ -3825,7 +3825,7 @@ subroutine calczspher(zzlm,unitvec,lmax)
  enddo
  else
  write(*,'(" Error! Lmax is too big in calczspher,",i3,".")') lmax
- call exit
+ call abort
  endif
 !
  return
@@ -4135,7 +4135,7 @@ subroutine rad2recur(rad2core,nmin,nmax,lmax,xx)
  enddo
  case default
  write(*,*)"lmax=",lmax
- call exit
+ call abort
  end select
 !
  return
@@ -4328,7 +4328,7 @@ subroutine calctype2rad(rad2int,alfbessel,betbessel,alpha,beta,sqrtinvzeta, &
  denomab2= denomab*denomab
  if(lemax > 6) then
  write(*,'(" Error! Lemax is too big, lemax=",i3)')lemax
- call exit
+ call abort
  endif
  do ii= 1,15
  rho(ii)= zero
@@ -4395,11 +4395,11 @@ subroutine calctype2rad(rad2int,alfbessel,betbessel,alpha,beta,sqrtinvzeta, &
  if(alpha*beta > abthresh) then
  if(nangecp > 2) then
  write(*,'(" Error! Nangecp is too big,",i3,", lemax=",i3,".")')nangecp,lemax
- call exit
+ call abort
  endif
  endif
  elseif(lemax > 6) then
- call exit
+ call abort
  endif
 !
  nn= nangecp

src/grad1.F90

@@ -1063,7 +1063,7 @@ subroutine int1cgmd(egrad,fulldmtrx,exij,cij,coordij,coord,znuc,natom, &
 !
  if(mxprsh > mxprsh2) then
  write(*,'(" Error! Parameter mxprsh2 in int1cgmd is small!")')
- call exit
+ call abort
  endif
 !
  inttyp=nangij(2)*3+nangij(1)+1

src/int1.F90

@@ -120,7 +120,7 @@ subroutine calcintst1c(hmat,smat,tmat,ish,jsh,len1,threshex, &
 !
  if((nangij(1) > 6).or.(nangij(2) > 6))then
  write(*,'(" Error! This program supports up to i function in calcintst1c.")')
- call exit
+ call abort
  endif
 !
 ! Overlap and kinetic integrals
@@ -560,7 +560,7 @@ subroutine ghquadd(xyzint,expgh,xyzpijk,iang,jang,kang)
 ! else
 ! if((nangij(1) > 6).or.(nangij(2) > 6))then
 ! write(*,'(" Error! This program supports up to i function in calcint1c.")')
-! call exit
+! call abort
 ! endif
 !!
 ! call int1rys(cint,exij,coij,coordij,coord,znuc,natom, &
@@ -2014,7 +2014,7 @@ subroutine calcintdipole(dipmat,dipcenter,ish,jsh,len1,threshex,datamol,databasi
 !
  if((nangij(1) > 6).or.(nangij(2) > 6))then
  write(*,'(" Error! This program supports up to i function in calcintdipole.")')
- call exit
+ call abort
  endif
 !
 ! Dipole moment integrals
@@ -2257,7 +2257,7 @@ subroutine calcintoctupole(dipmat,quadpmat,octpmat,dipcenter,ish,jsh,len1,thresh
 !
  if((nangij(1) > 6).or.(nangij(2) > 6))then
  write(*,'(" Error! This program supports up to i function in calcintoctupole.")')
- call exit
+ call abort
  endif
 !
 ! Dipole moment integrals

src/int2elec.F90

@@ -109,7 +109,7 @@ subroutine int2phmd(twoeri,exijkl,coijkl,xyzijkl,nprimijkl,nangijkl,nbfijkl,maxd
 !
  if(mxprsh > mxprsh2) then
  write(*,'(" Error! Parameter mxprsh2 in int2phmd is small!")')
- call exit
+ call abort
  endif
 !
  nangtotal= nangijkl(1)*27+nangijkl(2)*9+nangijkl(3)*3+nangijkl(4)+1
@@ -457,10 +457,10 @@ subroutine int2rys(twoeri,exijkl,coijkl,xyzijkl,nprimijkl,nangijkl,nbfijkl,maxdi
 !
  if(mxprsh > mxprsh2) then
  write(*,'(" Error! Parameter mxprsh2 in int2rys is small!")')
- call exit
+ call abort
  elseif(maxdim > maxdim2) then
  write(*,'(" Error! Parameter maxdim2 in int2rys is small!")')
- call exit
+ call abort
  endif
 !
  ncartijkl(1)= ncart(nangijkl(1))

src/machine.F90

@@ -341,5 +341,5 @@ subroutine iabort
  write(*,'(" Error! Calculation finished abnormally.")')
  write(*,'(" ===========================================")')
  call para_abort
- call exit
+ call abort
 end

src/rysquad.F90

@@ -614,7 +614,7 @@ subroutine rysquad(tval,trys,wrys,nroots)
  endif
  case default
  write(*,'("Subroutine rysroot supports up to nroots=13")')
- call exit
+ call abort
  end select
  return
 end