[DFTB-Plus-User] compilation error in another machine

[Bálint Aradi]

Dear Seung,

> make[1]: Entering directory
> `/home/smlee/DFTBp/dftb+_1.0.1_src/prg_dftb/_obj_i686-linux-pgi'
> 
> cpp -traditional -DDEBUG=0 -DEXTERNALERFC
> -I/home/smlee/DFTBp/dftb+_1.0.1_src/prg_dftb/../lib_geoopt/
> -I/home/smlee/DFTBp/dftb+_1.0.1_src/prg_dftb/../includes
> /home/smlee/DFTBp/dftb+_1.0.1_src/prg_dftb/../lib_geoopt/geoopt.F90 |
> /home/smlee/DFTBp/dftb+_1.0.1_src/prg_dftb/../utils/fpp/fpp.sh noln2 >
> geoopt.f90
> 
> pgf90  -o geoopt.o -c geoopt.f90

 The Portland compiler is known to have several problems with DFTB+, and
in general with Fortran 95 programs using more advanced language
features than just dynamic memory allocation. Last time I tried to
compile DFTB+ with it (admittedly ca. 2 years ago) , it just *crashed*
at various places, so I gave up. As I do not have access to PGI
compilers any more, I can't tell you, if newer compiler of that company
are better or not.

 Also, please note, DFTB+ is written in Fortran 95, not in Fortran 90,
so make sure, you're using a Fortran 95 compliant compiler. The
compilers I had a chance to test, are listed on the release page:

http://www.dftb-plus.info/about_dftb/version_101/

  Regards,

    Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 252 bytes
Desc: OpenPGP digital signature
Url : http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20081118/84b85217/attachment-0001.pgp