[DFTB-Plus-User] DFTB-Plus-User Digest, Vol 61, Issue 8

Bálint Aradi aradi at uni-bremen.de
Tue Sep 17 08:55:02 CEST 2019

Dear Roberto,

On 17.09.19 00:18, Roberto Andrés González León wrote:
> Hi, I'm using the same compiler for both the ARPACK library and dftb+
> (ifort in both cases).

Are you sure, that you link the correct ARPACK? I am just asking,
because the ARPACK library source code does not contain any of the
missing symbols. (Neither legacy ARPACK, nor ARPACK-NG, which we usually
recommend to use, as it is still actively maintained.) You can check it
yourself by grep-ing for any of them in the ARPACK source tree.
Consequently, they must have been added by your compiler.

I looked up my intel compiled ARPACK library with 'nm' and it does not
contain those symbols either. On the other hand, if you search around a
bit, you find that for example s_cmp is part of the C-code, which is
generated by f2c from the ARPACK Fortran source. So it rather seems, as
if the ARPACK you try to link, would have been compiled by the old GNU
F77 compiler...

Can you look up with 'nm', whether your intel compiled ARPACK library
contains s_cmp? If that is not the case, it must be an other ARPACK,
which is erroneously linked.

Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190917/3ed2d795/attachment.sig>

More information about the DFTB-Plus-User mailing list