[molpro-user] Compiling molpro Solaris 9

Fri Aug 4 15:42:33 BST 2006

Hello again, Martin

It seems that your compiler is quite old. We have one machine with sun4u
architecture where we regularly test molpro. The fortran version we use
is:

f90 -V
f90: Sun Fortran 95 8.2 Patch 121019-02 2006/04/06

With this compiler we had no problem with installing/running molpro
(changing some optimization levels, this was patched in molpro 2006.2,
but not 2006.1). I will prepare the patch for molpro 2006.1 too that
will set up optimization levels correctly. We also have an access to
older compilers:

/soft/local/lpp.7/opt/SUNWspro/bin/f90 -V
f90: Forte Developer 7 Fortran 95 7.0 Patch 111714-10 2004/05/13

/soft/local/lpp.8/opt/SUNWspro/bin/f90 -V
f90: Sun Fortran 95 7.1 Patch 112762-14 2005/04/26

so I will check and eventually make needed changes, if possible. I still
advise to upgrade your compiler as we will not support too old
compilers.

Best wishes,

Sasha

-- 
Dr. Alexander O. Mitrushchenkov

Universitaet Stuttgart
Institut fuer Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart
Germany

Tel +49 (0)711 / 685-64409
Fax +49 (0)711 / 685-64442
e-mail: sasha at theochem.uni-stuttgart.de

On Fri, 2006-08-04 at 15:34 +0200, Martin Weise wrote: 
> Hello Sascha
> 
> I tried it to compile with '-i8', but configure produces an error message (see
> below):
> 
> ./configure -f90 -i8 -f '' 
> getmachine was unable to identify your operating system correctly.
> NOTICE: Invoking /opt/SUNWspro/bin/f90 -f77 -ftrap=%none -o machine.exe
> machine.f mctype.o
> machine.f:
>  MAIN machine:
> 	fehler:
> 	save_all_files:
> gmake: Nothing to be done for `default'.
> Setting up integer*8 version; if you want integer*4, use configure -i4
> NOTICE: Invoking /opt/SUNWspro/bin/f90 -f77 -fast -ftrap=%none
> -xtypemap=real:64,double:64,integer:64 -xarch=v9a -o machine.exe machine.f mctype.o
> machine.f:
>  MAIN machine:
> 	fehler:
> 	save_all_files:
> ld: elf error: file /opt/SUNWspro/prod/lib/libfsu.a(__xargc.o): elf_getshdr:
> Request error: class file/memory mismatch
> ld: elf error: file /opt/SUNWspro/prod/lib/libfsu.a(__xargv.o): elf_getshdr:
> Request error: class file/memory mismatch
> ld: warning: file /opt/SUNWspro/prod/lib/libfsu.a(f90_init.o): wrong ELF class:
> ELFCLASS32
> ld: fatal: File processing errors. No output written to machine.exe
> ln: cannot access ./machine.exe
> gmake: *** [machine.exe] Error 2
> gmake: Nothing to be done for `default'.
> ./configure: utilities/machine.exe: not found
> If you believe the error is not your fault,
> then email the molpro mailing list at molpro-user at molpro.net, specifying operating
> system type and version, compiler type and version and any other
> information which would be useful. Exiting ...
> 
> 
> This is the output of uname an my compiler version:
> 
> 'f90 -V' ==> f90: Sun Fortran 95 7.1 2003/03/12
> 'uname -a' ==> SunOS kopernikus 5.9 Generic_117171-12 sun4u sparc
> 
> 
> When I tried to compile the mctype.c by hand, I realized that the '-f77' causes
> the error, but I don't know where to change the flags, so that it compiles
> correctly.
> 
> Regards
>  Martin Weise
> 
> Quoting Alexander Mitrushenkov <sasha at theochem.uni-stuttgart.de>:
> 
> > Hello Matrin,
> > 
> > As you can see on molpro webpage, Solaris 9 is a supported architecture
> > for molpro, provided the compiler is recent enough. It seems that you
> > have UltraSparcIII architecture, is this correct? Why don't you compile
> > 64-bit version of molpro (./configure -i8)? Can you specify your
> > compiler version so we could look at the problem? It seems that your
> > compiler does not like 'SIZE' intrinsic, which is required in molpro
> > code.
> > 
> > Thanks,
> > 
> > Sasha
> > -- 
> > Dr. Alexander O. Mitrushchenkov
> > 
> > Universitaet Stuttgart
> > Institut fuer Theoretische Chemie
> > Pfaffenwaldring 55
> > D-70569 Stuttgart
> > Germany
> > 
> > Tel +49 (0)711 / 685-64409
> > Fax +49 (0)711 / 685-64442
> > e-mail: sasha at theochem.uni-stuttgart.de
> > 
> > 
> > On Thu, 2006-08-03 at 11:45 +0200, Martin Weise wrote:
> > > Hello 
> > > 
> > > I have a problem compiling molpro2006.1 on Solaris 9.
> > > I use the Solaris f90 compiler, and configured molpro with
> > > the following flags: -f90 -i4
> > > 
> > > I had to use the i4-flags, as I was not able to get it configured and
> > > the compile to run.
> > > 
> > > Furthermore I had to add the following entry 
> > > 
> > >     NO_OPT="blas/lapack1.f basis/basis_contract.f"
> > > 
> > > to the CONFIG file, as I do not have 10GB of swap. (basis/basis_contract.f
> > was
> > > added)
> > > 
> > > So when compiling these settings I get the following error:
> > > 
> > > sapt.f90: preprocessing ... compiling ... failed:
> > > f90 -dalign -c -I. -M../global -fast -ftrap=%none -xarch=v8plusb -fsimple=2
> > sapt.f90
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 9, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 75, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 291, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 480, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 894, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > >   use dmmult
> > >       ^      
> > > "sapt.f90", Line = 986, Column = 7: ERROR: No specific intrinsic exists for
> > the
> > > intrinsic call "SIZE".
> > > 
> > > f90comp: 1292 SOURCE LINES
> > > f90comp: 6 ERRORS, 0 WARNINGS, 0 OTHER MESSAGES, 0 ANSI
> > > gmake[3]: *** [sapt.o] Error 1
> > > sapt_driver.f90: preprocessing ... compiling ... done
> > > utils_sapt.f90: preprocessing ... compiling ... done
> > > gmake[3]: Leaving directory
> > > `sources/molpro2006.1/molpro2006.1/src/sapt'
> > > gmake[2]: *** [objects] Error 2
> > > gmake[2]: Leaving directory
> > > `sources/molpro2006.1/molpro2006.1/src/sapt'
> > > gmake[1]: *** [sapt] Error 2
> > > gmake[1]: Leaving directory
> > > `sources/molpro2006.1/molpro2006.1/src'
> > > gmake: *** [src] Error 2
> > > 
> > > 
> > > Actually I have no idea what to do what that error message. Is something
> > missing
> > > or wrong? 
> > > 
> > > Regards
> > >  Martin Weise
> > > 
> > > -------------------------------------------------
> > > This mail sent through IMP: http://horde.org/imp/
> > > 
> > 
> > 
> > 
> 
> 
> 
> 
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