[molpro-user] Compiling molpro Solaris 9

[Alexander Mitrushenkov]

Dear Martin,

I could think of few reasons:

 * You did not make a clean install, so some old object files remained.
You could 'make veryclean' or better make completely new installation.
 * Your blas library is too old, or better not compatible with your
updated compiler. Did you update library too? Are you able to compile a
simple test routine which uses dgemv? 

If the library is a problem and you can not update it, you could always
download and install the free ATLAS library (from netlib.org), or
compile molpro with internal blas routines (-noblas option of configure)
just to try.

Let me know if this was useful.

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, 2006-08-11 at 12:00 +0200, Martin Weise wrote:
> Hello again
> 
> I updated the compiler to (which is the latest version we own)
>    Sun Fortran 95 8.2 2005/10/13
> 
> and I don't get the error message anymore.
> But, I get an linking error instead now.
> 
> __mt_get_next_chunk_invoke_mfunc_once_int_
> /opt/SUNWspro/prod/lib/libsunperf.a(dgemv.o)
> __mt_master_end_rtc_                /opt/SUNWspro/prod/lib/libsunperf.a(dsymv.o)
> __mt_master_begin_rtc_              /opt/SUNWspro/prod/lib/libsunperf.a(dsymv.o)
> __mt_MasterFunction_rtc_            /opt/SUNWspro/prod/lib/libsunperf.a(dgemv.o)
> 
> The error occurs when linking 'molpros_2006_1_i4.exe'.
> The compiler flags are:
> 
> f90 -dalign -M./global -fast -ftrap=%none -xarch=v8plusb -fsimple=2 -o
> [...]molpro2006.1/molpro2006.1/bin/molpros_2006_1_i4.exe molver.o molpro.o
> -L[...]/molpro2006.1/molpro2006.1/lib -lmolpro -lgks0 -xlic_lib=sunperf
> -lsunmath -lnsl -lxnet -lmvec -lz
> 
> [..] = I stripped the path, as I think I am not allowed to provide it and
> actually it is not necessary.
> 
> I already patched the molpro with the latest updates, using patcher, but the
> results stays the same.
> 
> 
> Molpro was configured with '-f90 -i4' . I had to use '-i4' as the libsunperf is
> a 32Bit library provided by Sun.
> 
> As I don't have an idea if it's an error/bug from the libsunperf or from molpro,
> the question is, if anyone already got this problem, too and maybe solved it.
> 
> Regards
>  Martin Weise
> 
> Quoting Alexander Mitrushenkov <sasha at theochem.uni-stuttgart.de>:
> 
> > 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
> 
> 
> 
> 
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