[CPMD-list] Compilation error II

[Axel Kohlmeyer]

On 9/30/06, Alexander Martins Silva <alex.msilva at uol.com.br> wrote:
>
>           Hi Ari and Axel,
>
>           Sorry, I should to send a excerpt of the Makefile. So, I 'm

ok. thanks. from what you post, it seems that you installed the 32-bit
(=ia32) version of the intel compiler and not the x86_64 one, so you
have to use the corresponding 32-bit libraries.

[...]

>
>     I have the libm.a in the /usr/lib64/ directory. So I made a symbolic
> link to the /usr/lib. After that, I got the following error message:

no! please don't do that those directories are there for a reason. on x86_64
machines you can compile and run in 32-bit and 64-bit mode and those
binaries - and thus the corresponding libraries - are different, so you need
to install the matching ones. i.e. here the 32-bit devel package.


> mdshop_cp.o mdshop_bo.o mm_mdshop_cp.o mm_mdshop_bo.o fusion.o rk4ov.o
> shop_adds.o  sysdepend.o    -llapack -lblas -Vaxlib -static
> ld: skipping incompatible /usr/lib/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib64/liblapack.a when searching for -llapack
> ld: skipping incompatible /usr/lib/libblas.a when searching for -lblas
> ld: skipping incompatible /usr/lib64/libblas.a when searching for -lblas
> ld: skipping incompatible /usr/lib/libblas.a when searching for -lblas
> ld: cannot find -lblas
> make: *** [cpmd.x] Error 1
>        This lapapack also was linked to the /usr/lib64. I almost sure
> that I cannot use this option at my 64bits machine. My mistake.

see above for the explanation. you should also use a properly optimized
library that is compatible with your compiler. this is not a cpmd error.


> wrccfl.o mdshop_cp.o mdshop_bo.o mm_mdshop_cp.o mm_mdshop_bo.o fusion.o
> rk4ov.o shop_adds.o  sysdepend.o    -L. -latlas_x86_64
> OBJREAD Error: Could not create mapping for "/usr/lib/libatlas_x86_64.a".
> ifort: error: problem during multi-file optimization compilation (code 1)
> make: *** [cpmd.x] Error 1

see above. same error, just the other way around this time.
so you either need to install the proper 64-bit compiler or use
the 32-bit libraries and _then_ use the corresponding config file.
note, that PC-IFC has been written for a much older version of
intel fortran, so you should adapt the flags.

if you still have problem, please check the mailing list archives
(or use google with site:cpmd.org). problems like this have been
reported and discussed rather frequently, so the specific answer
you may need could already be out there.

cheers,
    axel.


-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.