UT theoretical chemistry code forum

Hello, Dear professor.

I downloaded bader_Inx_64.tar.gz and bader.tar.gz, Then typed 'tar -xzvf bader_Inx_64.tar.gz', 'tar -xzvf bader.tar.gz',
and 'chmod -x bader',
'cd bader',
'cp makefile.lnx_ifort makefile',

then I typed 'make', the following warnings have appeared .
also after that when I type 'bader' , thers is 'Command 'bader' not found...'

what is wrong with my installation process?

Thank you so much!

'
gfortran -O2 -c -Wunused kind_mod.f90
gfortran -O2 -c -Wunused matrix_mod.f90
gfortran -O2 -c -Wunused ions_mod.f90
gfortran -O2 -c -Wunused options_mod.f90
gfortran -O2 -c -Wunused charge_mod.f90
charge_mod.f90:41:26:

41 | SUBROUTINE assign_charge(chg1,chg2)
| ^
Warning: ‘assign_charge’ defined but not used [-Wunused-function]
gfortran -O2 -c -Wunused chgcar_mod.f90
gfortran -O2 -c -Wunused cube_mod.f90
gfortran -O2 -c -Wunused io_mod.f90
gfortran -O2 -c -Wunused bader_mod.f90
bader_mod.f90:1622:36:

1622 | SUBROUTINE assign_surrounding_pts2(bdr,chg,p)
| ^
Warning: ‘assign_surrounding_pts2’ defined but not used [-Wunused-function]
bader_mod.f90:1714:35:

1714 | SUBROUTINE reassign_volnum_ongrid(bdr,chg,p)
| ^
Warning: ‘reassign_volnum_ongrid’ defined but not used [-Wunused-function]
gfortran -O2 -c -Wunused voronoi_mod.f90
gfortran -O2 -c -Wunused multipole_mod.f90
gfortran -O2 -c -Wunused weight_mod.f90
gfortran -O2 -c -o dsyevj3_mod.o dsyevj3_mod.f
gfortran -O2 -c -Wunused jacobi_mod.f90
gfortran -O2 -c -Wunused critpoint_mod.f90
critpoint_mod.f90:3346:43:

3346 | REAL(q2),DIMENSION(3) :: trueR,r,grad
| 1
Warning: Unused variable ‘grad’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:3345:46:

3345 | REAL(q2),DIMENSION(3,3) :: hessianMatrix
| 1
Warning: Unused variable ‘hessianmatrix’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:3348:25:

3348 | LOGICAL :: isUnique, minimized, noRecording
| 1
Warning: Unused variable ‘isunique’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:3346:38:

3346 | REAL(q2),DIMENSION(3) :: trueR,r,grad
| 1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:3341:42:

3341 | INTEGER,DIMENSION(3) :: p,pn,trueInd
| 1
Warning: Unused variable ‘trueind’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:2786:55:

2786 | INTEGER :: ucptnum, reduced_ucptnum, i, j, weight, dupCount
| 1
Warning: Unused variable ‘weight’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:1925:45:

1925 | REAL(q2), DIMENSION(3) :: eigvals, grad
| 1
Warning: Unused variable ‘grad’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:1484:50:

1484 | INTEGER :: CageSearch, ucptnum, nearest_cage, n
| 1
Warning: Unused variable ‘nearest_cage’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:274:23:

274 | atom_connectivity, nucleiInd, ring_connectivity
| 1
Warning: Unused variable ‘atom_connectivity’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:283:48:

283 | avgMode, stepcount, nnlayers, averagecount
| 1
Warning: Unused variable ‘averagecount’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:270:42:

270 | finR, nexttem, previoustem, averager, temcap, temscale
| 1
Warning: Unused variable ‘averager’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:254:58:

254 | TYPE(cpc),ALLOCATABLE,DIMENSION(:) :: cpcl, cpl, cpclt
| 1
Warning: Unused variable ‘cpclt’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:268:42:

268 | REAL(q2), DIMENSION(3) :: tem, eigvals, truer, grad, prevgrad, temprealr, &
| 1
Warning: Unused variable ‘eigvals’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:266:54:

266 | REAL(q2), DIMENSION(3,3) :: hessianMatrix, eigvecs, interpolHessian, &
| 1
Warning: Unused variable ‘eigvecs’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:268:55:

268 | REAL(q2), DIMENSION(3) :: tem, eigvals, truer, grad, prevgrad, temprealr, &
| 1
Warning: Unused variable ‘grad’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:281:21:

281 | INTEGER :: n1, n2, n3, cptnum, ucptnum, i, j, k, debugnum,ij, &
| 1
Warning: Unused variable ‘n2’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:281:25:

281 | INTEGER :: n1, n2, n3, cptnum, ucptnum, i, j, k, debugnum,ij, &
| 1
Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:270:19:

270 | finR, nexttem, previoustem, averager, temcap, temscale
| 1
Warning: Unused variable ‘nexttem’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:265:38:

265 | REAL(q2), DIMENSION(8,3) :: nngrad
| 1
Warning: Unused variable ‘nngrad’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:268:65:

268 | REAL(q2), DIMENSION(3) :: tem, eigvals, truer, grad, prevgrad, temprealr, &
| 1
Warning: Unused variable ‘prevgrad’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:270:32:

270 | finR, nexttem, previoustem, averager, temcap, temscale
| 1
Warning: Unused variable ‘previoustem’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:274:53:

274 | atom_connectivity, nucleiInd, ring_connectivity
| 1
Warning: Unused variable ‘ring_connectivity’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:264:38:

264 | REAL(q2), DIMENSION(10,3) :: rList,temList
| 1
Warning: Unused variable ‘rlist’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:262:19:

262 | static_search
| 1
Warning: Unused variable ‘static_search’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:283:24:

283 | avgMode, stepcount, nnlayers, averagecount
| 1
Warning: Unused variable ‘stepcount’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:268:33:

268 | REAL(q2), DIMENSION(3) :: tem, eigvals, truer, grad, prevgrad, temprealr, &
| 1
Warning: Unused variable ‘tem’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:270:50:

270 | finR, nexttem, previoustem, averager, temcap, temscale
| 1
Warning: Unused variable ‘temcap’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:264:46:

264 | REAL(q2), DIMENSION(10,3) :: rList,temList
| 1
Warning: Unused variable ‘temlist’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:271:26:

271 | REAL(q2) :: temnormcap
| 1
Warning: Unused variable ‘temnormcap’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:270:60:

270 | finR, nexttem, previoustem, averager, temcap, temscale
| 1
Warning: Unused variable ‘temscale’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:190:61:

190 | INTEGER, DIMENSION(:,:), ALLOCATABLE :: atom_connectivity
| 1
Warning: Unused variable ‘atom_connectivity’ declared at (1) [-Wunused-variable]
critpoint_mod.f90:2423:27:

2423 | SUBROUTINE MakeCPRoster(cpr,cptnum,r)
| ^
Warning: ‘makecproster’ defined but not used [-Wunused-function]
critpoint_mod.f90:2432:31:

2432 | SUBROUTINE MakeFullCPRoster(cpr,cptnum,r)
| ^
Warning: ‘makefullcproster’ defined but not used [-Wunused-function]
critpoint_mod.f90:2918:24:

2918 | SUBROUTINE DebugLine(iP,fP,iS,chg)
| ^
Warning: ‘debugline’ defined but not used [-Wunused-function]
critpoint_mod.f90:2982:26:

2982 | SUBROUTINE DebugRGHLat(xmin,xmax,ymin,ymax,zmin,zmax,chg)
| ^
Warning: ‘debugrghlat’ defined but not used [-Wunused-function]
critpoint_mod.f90:3017:30:

3017 | SUBROUTINE DiagonalOnlyHes(hes)
| ^
Warning: ‘diagonalonlyhes’ defined but not used [-Wunused-function]
critpoint_mod.f90:3408:35:

3408 | SUBROUTINE PrintNeighborCharges(p,chg)
| ^
Warning: ‘printneighborcharges’ defined but not used [-Wunused-function]
critpoint_mod.f90:3849:4:

3849 | FUNCTION ReadSymOpSize()
| ^
Warning: ‘readsymopsize’ defined but not used [-Wunused-function]
critpoint_mod.f90:3875:30:

3875 | SUBROUTINE PrintFlavorText()
| ^
Warning: ‘printflavortext’ defined but not used [-Wunused-function]
critpoint_mod.f90:3887:32:

3887 | SUBROUTINE DebugGetRhoAround(p,chg,ions)
| ^
Warning: ‘debuggetrhoaround’ defined but not used [-Wunused-function]
critpoint_mod.f90:3905:27:

3905 | SUBROUTINE DebugGetInfo(grid,chg)
| ^
Warning: ‘debuggetinfo’ defined but not used [-Wunused-function]
critpoint_mod.f90:3914:28:

3914 | SUBROUTINE DebugCPTracer(rt,chg,cpl,ucptnum)
| ^
Warning: ‘debugcptracer’ defined but not used [-Wunused-function]
critpoint_mod.f90:3933:38:

3933 | SUBROUTINE DebugCoreFunctionsCheck(chg)
| ^
Warning: ‘debugcorefunctionscheck’ defined but not used [-Wunused-function]
gfortran -O2 -c -Wunused automatedcp_mod.f90
gfortran -O2 -c -Wunused main.f90
rm -f bader
#gfortran main.o -o bader kind_mod.o matrix_mod.o ions_mod.o options_mod.o charge_mod.o chgcar_mod.o cube_mod.o io_mod.o bader_mod.o voronoi_mod.o multipole_mod.o weight_mod.o dsyevj3_mod.o jacobi_mod.o critpoint_mod.o automatedcp_mod.o
gfortran main.o -o bader kind_mod.o matrix_mod.o ions_mod.o options_mod.o charge_mod.o chgcar_mod.o cube_mod.o io_mod.o bader_mod.o voronoi_mod.o multipole_mod.o weight_mod.o dsyevj3_mod.o jacobi_mod.o critpoint_mod.o automatedcp_mod.o
'

I'm sorry to suggest trivial things, but check if is the bader binary is there, and maybe run ./bader in case . is not in your path.

very helpful！ processor, thank you