Hi everybody, I'm trying to run siesta-3.0-rc2, and I'm not being able to run the tests. I compiled using gfortran 4.6.1 or ifort 10.1, as suggested in mailing list.
In several tests I get the following error (here showed for 1st test):
>>>> Running 32_h2o test...
==> Copying pseudopotential file for H_lyp...
==> Copying pseudopotential file for O_lyp...
==> Running SIESTA as ../../../Obj/siesta
MINVEC: BASIS VECTORS ARE LINEARLY DEPENDENT
ERROR STOP from Node: 0
The only thing that I'm changing in the configure file is the
compiler, anything else is the default. I attach the arch.make file
for gfortran as an example.
I get the same problems with a different machine. With ifort 11 and 12
I get different kind of errors, but as much as I can understand
reading the previous mails, I'd better stay on ifort 10.1
I'm having really strange results on a CNT-CNT system with transiesta,
and I'm wondering whether they can be related to some
compiler/numerical error.
If there's any suggestion, or you can forward me to some similar
problem in the mailing list (i didn't really find something fitting),
I would really appreciate it.
Gabriele Penazzi
arch.make
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