My Community

Hi there,

I am having a problem installing vasp 4.6 and 5 on a mac pro OSX.
If somebody has the right makefile could you please post it or send it to me.
I am having the following errors using absoft compiler:

rm -f vasp
f90 -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o -L/Applications/Absoft11.1/lib -lf77blas -lAbsoftAtlas
ld: in ../vasp.4.lib/libdmy.a, archive has no table of contents
collect2: ld returned 1 exit status
link failed.
make: *** [vasp] Error 1


Here is the output of the compilation of vasp.4.lib

cp preclib.f preclib.f90
f90 -O -c preclib.f90
cc -O -c timing_.c
cc -O -c derrf_.c
cc -O -c dclock_.c
cp diolib.f diolib.f90
f90 -O -c diolib.f90

GOTO 200
^
cf90-362 af90fe: WARNING RDPOS, File = diolib.f90, Line = 324, Column = 7
This statement can not be reached.

f90: Copyright Absoft Corporation 1994-2010; Absoft Fortran Compiler Version 11.1
f90fe: 333 source lines
f90fe: 0 Errors, 1 Warnings, 0 Other messages, 0 ANSI
cp dlexlib.f dlexlib.f90
f90 -O -c dlexlib.f90

RETURN
^
cf90-362 af90fe: WARNING NOCCUR, File = dlexlib.f90, Line = 497, Column = 7
This statement can not be reached.

RETURN
^
cf90-362 af90fe: WARNING INDEXN, File = dlexlib.f90, Line = 528, Column = 7
This statement can not be reached.

f90: Copyright Absoft Corporation 1994-2010; Absoft Fortran Compiler Version 11.1
f90fe: 1306 source lines
f90fe: 0 Errors, 2 Warnings, 0 Other messages, 0 ANSI
cp drdatab.f drdatab.f90
f90 -O -c drdatab.f90
f90 -O -c lapack_double.f

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_double.f, Line = 10179, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_double.f, Line = 10181, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_double.f, Line = 10183, Column = 16
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20285, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20287, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20289, Column = 16
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20299, Column = 19
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20301, Column = 19
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20303, Column = 19
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20326, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20328, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_double.f, Line = 20330, Column = 16
Unsupported compiler directive.

f90: Copyright Absoft Corporation 1994-2010; Absoft Fortran Compiler Version 11.1
f90fe: 28085 source lines
f90fe: 0 Errors, 12 Warnings, 0 Other messages, 0 ANSI
f90 -O -c linpack_double.f
f90 -O -c lapack_atlas.f

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_atlas.f, Line = 12864, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_atlas.f, Line = 12866, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DLAEBZ, File = lapack_atlas.f, Line = 12868, Column = 16
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18861, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18863, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18865, Column = 16
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18875, Column = 19
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18877, Column = 19
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18879, Column = 19
Unsupported compiler directive.

CDIR$ NEXTSCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18902, Column = 16
Unsupported compiler directive.

CDIR$ NEXT SCALAR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18904, Column = 16
Unsupported compiler directive.

CDEC$ NOVECTOR
^
cf90-801 af90fe: WARNING DTGEVC, File = lapack_atlas.f, Line = 18906, Column = 16
Unsupported compiler directive.

f90: Copyright Absoft Corporation 1994-2010; Absoft Fortran Compiler Version 11.1
f90fe: 26830 source lines
f90fe: 0 Errors, 12 Warnings, 0 Other messages, 0 ANSI
rm libdmy.a
ar vq libdmy.a preclib.o timing_.o derrf_.o dclock_.o diolib.o dlexlib.o drdatab.o
ar: creating archive libdmy.a
q - preclib.o
q - timing_.o
q - derrf_.o
q - dclock_.o
q - diolib.o
q - dlexlib.o
q - drdatab.o
/usr/bin/ranlib: archive member: libdmy.a(timing_.o) cputype (16777223) does not match previous archive members cputype (7) (all members must match)
/usr/bin/ranlib: archive member: libdmy.a(derrf_.o) cputype (16777223) does not match previous archive members cputype (7) (all members must match)
/usr/bin/ranlib: archive member: libdmy.a(dclock_.o) cputype (16777223) does not match previous archive members cputype (7) (all members must match)

I don't understand the comment "archive has no table of contents". Any help is welcome

Best Regards,

Meb

Hi,

I find out that you can do ranlib libdmy.a

but still vasp does not link correctly:


rm -f vasp
f90 -o vasp main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o -L/Applications/Absoft11.1/lib -lf77blas -lAbsoftAtlas
Undefined symbols:
"_errfc_", referenced from:
___FEWALD.in.EBS in ebs.o
___ER.in.FEWALD.in.EBS in ebs.o
___ERD.in.FEWALD.in.EBS in ebs.o
"_timing_", referenced from:
_MAIN__ in main.o
_MAIN__ in main.o
_memory_check__ in ini.o
"_errf_", referenced from:
_delstp_ in dos.o
_delstp_ in dos.o
_pottorho_ in setlocalpp.o
"_vtime_", referenced from:
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
_MAIN__ in main.o
___FEWALD.in.EBS in ebs.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
_elmin_ in electron.o
ld: symbol(s) not found
collect2: ld returned 1 exit status
link failed.
make: *** [vasp] Error 1

Hi alouani1,

There is some more discussion on VASP on MacOS X on another thread, see

http://cms.mpi.univie.ac.at/vasp-forum/ ... php?2.9678

If that doesn't fix your problems, then feel free to email me. I do have makefiles for VASP on OSX with the Intel compiler, maybe you could look at those to see if you can ake it work with Absoft Fortran, which is what you seem to be using.