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Avoid extra calls if tracy is disabled
1 parent 473db03 commit ed06bd6

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13 files changed

+103
-95
lines changed

13 files changed

+103
-95
lines changed

‎src/aespot.F90

Lines changed: 9 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -49,7 +49,7 @@ subroutine setdqlist(nao,ndp,nqp,thr,dpint,qpint,matdlst,matqlst)
4949

5050
type(xtb_zone) :: zone
5151

52-
call zone%start("src/aespot.F90", "setdqlist", __LINE__, color=TracyColors%OliveDrab1)
52+
if (do_tracying) call zone%start("src/aespot.F90", "setdqlist", __LINE__, color=TracyColors%OliveDrab1)
5353

5454
! INFO: this threshold must be slightly larger than max(0,thr2),
5555
! where thr2 is the one used in screening in routine aesdqint
@@ -152,7 +152,7 @@ subroutine mmompop(nat,nao,aoat2,xyz,p,s,dpint,qpint,dipm,qp)
152152
real(wp), intent(out):: qp(:, :)
153153

154154
type(xtb_zone) :: zone
155-
call zone%start("src/aespot.F90", "mmompop", __LINE__, color=TracyColors%OliveDrab1)
155+
if (do_tracying) call zone%start("src/aespot.F90", "mmompop", __LINE__, color=TracyColors%OliveDrab1)
156156

157157
#ifdef XTB_GPU
158158
call mmompop_gpu(nat,nao,aoat2,xyz,p,s,dpint,qpint,dipm,qp)
@@ -442,7 +442,7 @@ subroutine aniso_electro(aesData,nat,at,xyz,q,dipm,qp,gab3,gab5,e,epol)
442442

443443
type(xtb_zone) :: zone
444444

445-
call zone%start("src/aespot.F90", "aniso_electro", __LINE__, color=TracyColors%OliveDrab1)
445+
if (do_tracying) call zone%start("src/aespot.F90", "aniso_electro", __LINE__, color=TracyColors%OliveDrab1)
446446

447447
#ifdef XTB_GPU
448448
call aniso_electro_gpu(aesData,nat,at,xyz,q,dipm,qp,gab3,gab5,e,epol)
@@ -678,7 +678,7 @@ subroutine fockelectro(nat,nao,aoat2,p,s,dpint,qpint,vs,vd,vq,e)
678678

679679
type(xtb_zone) :: zone
680680

681-
call zone%start("src/aespot.F90", "fockelectro", __LINE__, color=TracyColors%OliveDrab1)
681+
if (do_tracying) call zone%start("src/aespot.F90", "fockelectro", __LINE__, color=TracyColors%OliveDrab1)
682682

683683
! CAMM
684684
eaes = 0.0_wp
@@ -739,7 +739,7 @@ subroutine setvsdq(aesData,nat,at,xyz,q,dipm,qp,gab3,gab5,vs,vd,vq)
739739
integer i,j,k,l1,l2,ll,m,mx,ki,kj
740740

741741
type(xtb_zone) :: zone
742-
call zone%start("src/aespot.F90", "setvsdq", __LINE__, color=TracyColors%OliveDrab1)
742+
if (do_tracying) call zone%start("src/aespot.F90", "setvsdq", __LINE__, color=TracyColors%OliveDrab1)
743743

744744
vs = 0.0_wp
745745
vd = 0.0_wp
@@ -878,7 +878,7 @@ subroutine setdvsdq(aesData,nat,at,xyz,q,dipm,qp,gab3,gab5,vs,vd,vq)
878878
integer i,j,k,l1,l2,ll,m,mx,ki,kj
879879

880880
type(xtb_zone) :: zone
881-
call zone%start("src/aespot.F90", "setdvsdq", __LINE__, color=TracyColors%OliveDrab1)
881+
if (do_tracying) call zone%start("src/aespot.F90", "setdvsdq", __LINE__, color=TracyColors%OliveDrab1)
882882

883883
vs = 0.0_wp
884884
vd = 0.0_wp
@@ -978,7 +978,7 @@ subroutine molmom(iunit,n,xyz,q,dipm,qp,dip,d3)
978978
integer i,j,k,l
979979

980980
type(xtb_zone) :: zone
981-
call zone%start("src/aespot.F90", "molmom", __LINE__, color=TracyColors%OliveDrab1)
981+
if (do_tracying) call zone%start("src/aespot.F90", "molmom", __LINE__, color=TracyColors%OliveDrab1)
982982

983983
rr1 = 0.0_wp
984984
rr2 = 0.0_wp
@@ -1099,7 +1099,7 @@ subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, &
10991099
integer i,j,k,l,m,ki,kj,kl
11001100

11011101
type(xtb_zone) :: zone
1102-
call zone%start("src/aespot.F90", "aniso_grad", __LINE__, color=TracyColors%OliveDrab1)
1102+
if (do_tracying) call zone%start("src/aespot.F90", "aniso_grad", __LINE__, color=TracyColors%OliveDrab1)
11031103

11041104
do i = 1,nat
11051105
q1 = q(i)
@@ -1248,7 +1248,7 @@ subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5)
12481248
integer i,j,k,l,lin
12491249

12501250
type(xtb_zone) :: zone
1251-
call zone%start("src/aespot.F90", "mmomgabzero", __LINE__, color=TracyColors%OliveDrab1)
1251+
if (do_tracying) call zone%start("src/aespot.F90", "mmomgabzero", __LINE__, color=TracyColors%OliveDrab1)
12521252

12531253
!!!!!!! set up damped Coulomb operators for multipole interactions
12541254
gab3 = 0.0_wp ! for r**-2 decaying q-dip term

‎src/disp/dftd4.F90

Lines changed: 15 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -66,7 +66,7 @@ subroutine newD3Model(dispm,nat,at)
6666
intrinsic :: nint
6767

6868
type(xtb_zone) :: zone
69-
call zone%start("src/disp/dftd4.F90", "newD3Model", __LINE__, color=TracyColors%SteelBlue1)
69+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "newD3Model", __LINE__, color=TracyColors%SteelBlue1)
7070

7171
call init(dispm, maxElem=maxval(at))
7272

@@ -122,7 +122,7 @@ subroutine newD4Model(dispm,g_a,g_c,mode)
122122
intrinsic :: nint
123123

124124
type(xtb_zone) :: zone
125-
call zone%start("src/disp/dftd4.F90", "newD4Model", __LINE__, color=TracyColors%SteelBlue1)
125+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "newD4Model", __LINE__, color=TracyColors%SteelBlue1)
126126

127127
call init(dispm)
128128

@@ -612,7 +612,7 @@ subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns)
612612
intrinsic :: maxval
613613

614614
type(xtb_zone) :: zone
615-
call zone%start("src/disp/dftd4.F90", "d4", __LINE__, color=TracyColors%SteelBlue1)
615+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4", __LINE__, color=TracyColors%SteelBlue1)
616616

617617
allocate( itbl(7,nat), source = 0 )
618618

@@ -688,7 +688,7 @@ subroutine build_wdispmat(dispm,nat,ndim,at,itbl,xyz,par,c6abns,gw,wdispmat)
688688
real(wp), parameter :: gwcut = 1.0e-7_wp
689689

690690
type(xtb_zone) :: zone
691-
call zone%start("src/disp/dftd4.F90", "build_wdispmat", __LINE__, color=TracyColors%SteelBlue1)
691+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "build_wdispmat", __LINE__, color=TracyColors%SteelBlue1)
692692

693693
! acc enter data create(wdispmat) copyin(at, xyz, itbl, dispm, dispm%nref, &
694694
! acc& c6abns, gw, par)
@@ -772,7 +772,7 @@ subroutine disppot(dispm,nat,ndim,at,itbl,q,g_a,g_c,wdispmat,gw,hdisp)
772772
intrinsic :: sum,dble
773773

774774
type(xtb_zone) :: zone
775-
call zone%start("src/disp/dftd4.F90", "disppot", __LINE__, color=TracyColors%Steelblue1)
775+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "disppot", __LINE__, color=TracyColors%Steelblue1)
776776

777777
allocate( zetavec(ndim),zerovec(ndim),dumvec(ndim), source = 0._wp )
778778

@@ -1001,7 +1001,7 @@ subroutine weight_references(dispm, nat, atoms, g_a, g_c, wf, q, cn, zeff, gam,
10011001
real(wp) :: gi, zi
10021002

10031003
type(xtb_zone) :: zone
1004-
call zone%start("src/disp/dftd4.F90", "weight_references", __LINE__, color=TracyColors%SteelBlue1)
1004+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "weight_references", __LINE__, color=TracyColors%SteelBlue1)
10051005

10061006
! acc enter data create(zetavec, zerovec, zetadq, zetadq, zetadcn, zerodcn) &
10071007
! acc& copyin(dispm, dispm%nref, dispm%ncount, dispm%cn, dispm%q, atoms, &
@@ -1115,7 +1115,7 @@ subroutine get_atomic_c6(dispm, nat, atoms, zetavec, zetadcn, zetadq, &
11151115
real(wp) :: refc6, dc6, dc6dcni, dc6dcnj, dc6dqi, dc6dqj
11161116

11171117
type(xtb_zone) :: zone
1118-
call zone%start("src/disp/dftd4.F90", "get_atomic_c6", __LINE__, color=TracyColors%SteelBlue1)
1118+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "get_atomic_c6", __LINE__, color=TracyColors%SteelBlue1)
11191119

11201120
!$acc enter data create(c6, dc6dcn, dc6dq) copyin(atoms, dispm, dispm%nref, dispm%c6, &
11211121
!$acc& zetavec, zetadcn, zetadq)
@@ -1248,7 +1248,7 @@ subroutine d4_full_gradient_neigh &
12481248
real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
12491249

12501250
type(xtb_zone) :: zone
1251-
call zone%start("src/disp/dftd4.F90", "d4_full_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
1251+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4_full_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
12521252

12531253
nat = len(mol)
12541254
max_ref = maxval(dispm%nref(mol%at))
@@ -1356,7 +1356,7 @@ subroutine d4_gradient_neigh &
13561356
real(wp), allocatable :: energies(:), dEdcn(:), dEdq(:)
13571357

13581358
type(xtb_zone) :: zone
1359-
call zone%start("src/disp/dftd4.F90", "d4_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
1359+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
13601360

13611361
nat = len(mol)
13621362
max_ref = maxval(dispm%nref(mol%at))
@@ -1435,7 +1435,7 @@ subroutine disp_gradient_neigh &
14351435
real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
14361436

14371437
type(xtb_zone) :: zone
1438-
call zone%start("src/disp/dftd4.F90", "disp_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
1438+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "disp_gradient_neigh", __LINE__, color=TracyColors%SteelBlue1)
14391439

14401440
!$omp parallel do default(none) &
14411441
!$omp reduction(+:energies, gradient, sigma, dEdcn, dEdq) &
@@ -1731,7 +1731,7 @@ subroutine d4_full_gradient_latp &
17311731
real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
17321732

17331733
type(xtb_zone) :: zone
1734-
call zone%start("src/disp/dftd4.F90", "d4_full_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
1734+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4_full_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
17351735

17361736
nat = len(mol)
17371737
max_ref = maxval(dispm%nref(mol%at))
@@ -1844,7 +1844,7 @@ subroutine d4_gradient_latp &
18441844
real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
18451845

18461846
type(xtb_zone) :: zone
1847-
call zone%start("src/disp/dftd4.F90", "d4_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
1847+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
18481848

18491849
nat = len(mol)
18501850
max_ref = maxval(dispm%nref(mol%at))
@@ -1922,7 +1922,7 @@ subroutine disp_gradient_latp &
19221922
real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
19231923

19241924
type(xtb_zone) :: zone
1925-
call zone%start("src/disp/dftd4.F90", "disp_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
1925+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "disp_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
19261926

19271927
nat = len(mol)
19281928
cutoff2 = cutoff**2
@@ -2042,7 +2042,7 @@ subroutine d4_atm_gradient_latp &
20422042
real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
20432043

20442044
type(xtb_zone) :: zone
2045-
call zone%start("src/disp/dftd4.F90", "d4_atm_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
2045+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "d4_atm_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
20462046

20472047
nat = len(mol)
20482048
max_ref = maxval(dispm%nref(mol%at))
@@ -2106,7 +2106,7 @@ subroutine atm_gradient_latp &
21062106
logical :: doPBC
21072107

21082108
type(xtb_zone) :: zone
2109-
call zone%start("src/disp/dftd4.F90", "atm_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
2109+
if (do_tracying) call zone%start("src/disp/dftd4.F90", "atm_gradient_latp", __LINE__, color=TracyColors%SteelBlue1)
21102110

21112111
cutoff2 = cutoff**2
21122112
nat = len(mol) ! workaround for legacy Intel Fortran compilers

‎src/geoopt_driver.F90

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -106,7 +106,7 @@ subroutine geometry_optimization &
106106
! Initialization !
107107
!----------------!
108108

109-
call zone%start("src/geoopt_driver.f90", source, __LINE__, color=TracyColors%Snow)
109+
if (do_tracying) call zone%start("src/geoopt_driver.f90", source, __LINE__, color=TracyColors%Snow)
110110

111111
final_sp = pr
112112

‎src/mctc/lapack/eigensolve.F90

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -230,29 +230,29 @@ subroutine mctc_dsygvd_factorized(self, env, amat, bmat_factorized, eval)
230230
ldwork = size(self%dwork)
231231
liwork = size(self%iwork)
232232

233-
call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="sygst", color=TracyColors%Pink)
233+
if (do_tracying) call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="sygst", color=TracyColors%Pink)
234234

235235
CALL lapack_sygst( 1, 'u', self%n, amat, self%n, bmat_factorized, self%n, info )
236236
if (info /= 0) then
237237
call env%error("Failed to reduce eigenvalue problem", source)
238238
return
239239
end if
240240

241-
call zone%end()
242-
call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="syevd", color=TracyColors%Purple)
241+
if (do_tracying) call zone%end()
242+
if (do_tracying) call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="syevd", color=TracyColors%Purple)
243243

244244
CALL lapack_syevd( 'v', 'u', self%n, amat, self%n, eval, self%dwork, ldwork, self%iwork, liwork, info )
245245
if (info /= 0) then
246246
call env%error("Failed to compute eigenvalues and eigenvectors", source)
247247
return
248248
end if
249249

250-
call zone%end()
251-
call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="trsm", color=TracyColors%Purple)
250+
if (do_tracying) call zone%end()
251+
if (do_tracying) call zone%start("src/mctc/lapack/eigensolve.F90", source, __LINE__, zone_name="trsm", color=TracyColors%Purple)
252252

253253
CALL blas_trsm( 'l', 'u', 'n', 'n', self%n, self%n, 1.0_dp, bmat_factorized, self%n, amat, self%n )
254254

255-
call zone%end()
255+
if (do_tracying) call zone%end()
256256

257257
end subroutine mctc_dsygvd_factorized
258258

‎src/model_hessian.F90

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -122,7 +122,7 @@ subroutine mh_swart(xyz,n,hess,at,modh)
122122
real(wp) :: kd
123123

124124
type(xtb_zone) :: zone
125-
call zone%start("src/model_hessian.F90", "mh_swart", __LINE__, color=TracyColors%HotPink2)
125+
if (do_tracying) call zone%start("src/model_hessian.F90", "mh_swart", __LINE__, color=TracyColors%HotPink2)
126126

127127
allocate( lcutoff(n,n), source=.false.)
128128

@@ -757,7 +757,7 @@ subroutine mh_lindh_d2(xyz,n,hess,at,modh)
757757
type(chrg_parameter) :: chrgeq
758758

759759
type(xtb_zone) :: zone
760-
call zone%start("src/model_hessian.F90", "mh_lindh_d2", __LINE__, color=TracyColors%HotPink2)
760+
if (do_tracying) call zone%start("src/model_hessian.F90", "mh_lindh_d2", __LINE__, color=TracyColors%HotPink2)
761761

762762
allocate( lcutoff(n,n), source=.false.)
763763

@@ -843,7 +843,7 @@ subroutine mh_lindh(xyz,n,hess,at,modh)
843843
type(chrg_parameter) :: chrgeq
844844

845845
type(xtb_zone) :: zone
846-
call zone%start("src/model_hessian.F90", "mh_lindh", __LINE__, color=TracyColors%HotPink2)
846+
if (do_tracying) call zone%start("src/model_hessian.F90", "mh_lindh", __LINE__, color=TracyColors%HotPink2)
847847

848848
allocate( lcutoff(n,n), source=.false.)
849849

@@ -1857,7 +1857,7 @@ subroutine mh_eeq(n,at,xyz,chrg,chrgeq,kq,hess)
18571857
! xTB-Tracy profiler
18581858
!!
18591859
type(xtb_zone) :: zone
1860-
call zone%start("src/model_hessian.F90", "mh_eeq", __LINE__, color=TracyColors%HotPink2)
1860+
if (do_tracying) call zone%start("src/model_hessian.F90", "mh_eeq", __LINE__, color=TracyColors%HotPink2)
18611861

18621862
!! ------------------------------------------------------------------------
18631863
! initizialization
@@ -2193,7 +2193,7 @@ subroutine ddvopt(Cart,nAtoms,Hess,iANr,s6)
21932193
& Min(ixyz(i,iAtom),ixyz(j,jAtom)))
21942194
!end
21952195

2196-
call zone%start("src/model_hessian.F90", "ddvopt", __LINE__, color=TracyColors%HotPink2)
2196+
if (do_tracying) call zone%start("src/model_hessian.F90", "ddvopt", __LINE__, color=TracyColors%HotPink2)
21972197

21982198
!cc VDWx cccccccccccccccccccc
21992199
c6 = 50.0
@@ -2761,7 +2761,7 @@ subroutine gff_ddvopt(Cart,nAtoms,Hess,at,s6,param,topo,neigh)
27612761
Ind(i,iAtom,j,jAtom)=Jnd(Max(ixyz(i,iAtom),ixyz(j,jAtom)),&
27622762
& Min(ixyz(i,iAtom),ixyz(j,jAtom)))
27632763

2764-
call zone%start("src/model_hessian.F90", "gff_ddvopt", __LINE__, color=TracyColors%HotPink2)
2764+
if (do_tracying) call zone%start("src/model_hessian.F90", "gff_ddvopt", __LINE__, color=TracyColors%HotPink2)
27652765

27662766
! map heavy atoms to Z<=54
27672767
do i=1,nAtoms

‎src/optimizer.F90

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -318,7 +318,7 @@ subroutine ancopt(env,ilog,mol,chk,calc, &
318318
if (profile) call timer%measure(1,'optimizer setup')
319319

320320

321-
call zone%start("src/optimizer.F90", source, __LINE__, zone_name="ANCOPT", color=TracyColors%Snow)
321+
if (do_tracying) call zone%start("src/optimizer.F90", source, __LINE__, zone_name="ANCOPT", color=TracyColors%Snow)
322322

323323
! defaults !
324324
iter = 0
@@ -461,7 +461,7 @@ subroutine ancopt(env,ilog,mol,chk,calc, &
461461
ANC_microiter: do
462462
! ======================================================================
463463

464-
call frame%start("ANC microiter")
464+
if (do_tracying) call frame%start("ANC microiter")
465465

466466
!----------------------------------------------------------------!
467467
!--------------------- Hessian generation -----------------------!
@@ -564,7 +564,7 @@ subroutine ancopt(env,ilog,mol,chk,calc, &
564564
! assess the optimization by RMSD change !
565565
call rmsd(molopt%n,anc%xyz,molopt%xyz,1,U,x_center,y_center,rmsdval,.false.,grmsd)
566566

567-
call frame%end()
567+
if (do_tracying) call frame%end()
568568

569569
! this comes close to a goto, but it's not a goto ... it's even worse !
570570
if (restart.and.iter.lt.maxopt) then
@@ -739,7 +739,7 @@ subroutine relax(env,iter,mol,anc,restart,maxcycle,maxdispl,ethr,gthr, &
739739
!--------------------- Initialization ---------------------------!
740740
!----------------------------------------------------------------!
741741

742-
call zone%start("src/optimizer.F90", source, __LINE__, color=TracyColors%Wheat1)
742+
if (do_tracying) call zone%start("src/optimizer.F90", source, __LINE__, color=TracyColors%Wheat1)
743743

744744
! set printlevel !
745745
if (pr) then
@@ -771,7 +771,7 @@ subroutine relax(env,iter,mol,anc,restart,maxcycle,maxdispl,ethr,gthr, &
771771
main_loop: do ii=1,maxcycle
772772
!! ========================================================================
773773

774-
call frame%start("relax iter")
774+
if (do_tracying) call frame%start("relax iter")
775775

776776
iter=iter+1 ! iteration counter
777777
if(pr) &
@@ -974,7 +974,7 @@ subroutine relax(env,iter,mol,anc,restart,maxcycle,maxdispl,ethr,gthr, &
974974
! 2nd: exit and redo hessian (internal restart) !
975975
if(ii.gt.2.and.dsnrm.gt.2.0) then
976976
if (pr) write(*,*) 'exit because of too large step'
977-
call frame%end()
977+
if (do_tracying) call frame%end()
978978
exit main_loop
979979
endif
980980

@@ -989,7 +989,7 @@ subroutine relax(env,iter,mol,anc,restart,maxcycle,maxdispl,ethr,gthr, &
989989
return
990990
endif
991991

992-
call frame%end()
992+
if (do_tracying) call frame%end()
993993

994994
!! ========================================================================
995995
enddo main_loop

‎src/prog/main.F90

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -222,7 +222,7 @@ subroutine xtbMain(env, argParser)
222222
xenv%home = env%xtbhome
223223
xenv%path = env%xtbpath
224224

225-
call zone%start("src/prog/main.F90", source, __LINE__, color=TracyColors%Aqua)
225+
if (do_tracying) call zone%start("src/prog/main.F90", source, __LINE__, color=TracyColors%Aqua)
226226

227227
! ------------------------------------------------------------------------
228228
!> read the command line arguments
@@ -1252,7 +1252,7 @@ subroutine xtbMain(env, argParser)
12521252
call print_filelist(env%unit)
12531253
end if
12541254

1255-
call zone%end()
1255+
if (do_tracying) call zone%end()
12561256

12571257
! ------------------------------------------------------------------------
12581258
! make some post processing afterward, show some timings and stuff

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