installation on mac pro
Posted: Wed Jun 20, 2012 11:06 pm
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
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