[molpro-user] compilation of molpro2010: missing ABDATA after linking

[Manhui Wang]

Dear Sven,

On 29/11/11 14:38, Sve N wrote:
> Dear Manhui,
> it works with your options, thanks a lot.
> Is there a reason, why you choose, not to add the path as lapack-path?
If you also add "-lapackpath  /path_of_acml4.4.0/gfortran64_int64/lib", 
you'll get the same CONFIG. The Molpro configure automatically takes the 
same lapack library as BLAS if not specified.

Best wishes,
Manhui
> Sven
>
>
> ------------------------------------------------------------------------
> Date: Tue, 29 Nov 2011 12:28:03 +0000
> From: wangm9 at cardiff.ac.uk
> To: goretoffel at hotmail.de
> CC: molpro-user at molpro.net
> Subject: Re: [molpro-user] compilation of molpro2010: missing ABDATA 
> after linking
>
>
> Dear  Sven,
>
> On 29/11/11 09:26, Sve N wrote:
>
>     Dear all,
>     after compiling and tuning molpro, which both works, I encounter
>     following error, when testing:
>     openc: Error in opening file /.../Molpro/bin/../lib/ABDATA
>
>     This problem has been reported before, and seemingly is related to
>     the Intel MPI mpd daemon:
>     http://answerpot.com/showthread.php?1226767-Issue%20With%20Molpro%202010.1%20%28patch%202%29:%20ABDATA%20Missing
>
>     But I don't want to use MPI in first place, and I at least think,
>     I'm not doing so. My configure options are:
>     ./configure -auto-ga-tcgmsg -blas -i8 -lapack -Linux -mpp -x86_64
>     -var "BLASLIB=-L/.../acml4.4.0/gfortran64_mp_int64/lib -lacml_mp
>     -lacml_mv" -var
>     "LAPACKLIB=-L/.../acml4.4.0/gfortran64_mp_int64/lib -lacml_mp
>     -lacml_mv"
>
> Could you please try a fresh build with:
> ./configure -batch -gfortran -gcc -mpp -auto-ga-tcgmsg  -blaspath  
> /path_of_acml4.4.0/gfortran64_int64/lib
> make
> This allows Molpro configure to pick up the right settings 
> automatically if possible. In addition, please use non OpenMP version 
> of ACML(gfortran64_int64, not gfortran64_mp_int64).
>
>
>     As compiler I use gfortran (gcc-4.5), the molpro-version is 2010
>     patchlevel 24.
>     Thanks for any help, Sven
>
>     P.S.: On a sidenote, "make clean" doesn't work for me, it gives
>     this error:
>     target clean only available with git cloned versions, please
>     unpack the tarball again
>     is this intended?
>
> Yes. "make clean" did work previously, but now the behaviour has been 
> changed.
>
> Best wishes,
> Manhui
>
>
>     _______________________________________________
>     Molpro-user mailing list
>     Molpro-user at molpro.net  <mailto:Molpro-user at molpro.net>
>     http://www.molpro.net/mailman/listinfo/molpro-user
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20111129/8034bd70/attachment.html>