This is an error of linking, you need to link against the lapack libraries.
zgesv is a lapack routine.
Kind regards Nick
2012/11/20 liuyunlong0902
> Dear Nick,
> Thanks for your kind help! I have solved this problem, but some
> other errors emerged when 'ifort -transiesta' was going on
Dear Nick,
Thanks for your kind help! I have solved this problem, but some other
errors emerged when 'ifort -transiesta' was going on:
-
m_ts_aux_rout.o: In function `csolveg':
/home/users/zjuiseexy/siesta-trunk-424/Transiesta/m_ts_aux_rout.F:342:
Hi all,
If one specifies a PAO.Basis block explicitly, is there a reliable
method to obtain the cutoff (r_c) values for the zeta functions? Or,
if one chooses to let the PAO.EnergyShift, PAO.SplitNorm values decide
the r_c values for us, is there a reliable way to assign values to
those variables?
That error stems from no mpi-dummy routine has been created. Simply do the
following:
Replace on line 205:
#endif
with this:
#else
subroutine dummy()
end subroutine dummy
#endif
I will correct this in the patched version.
Kind regards Nick
2012/11/19 liuyunlong0902
> Dear Nick,
>
Dear Chuong
Yah you are correct i have seen the structure with Bhor units now i have
convert this into Ang and everything is good -C-C length is 1.37 and, perfect.
Thank you very much
With regards
hakkim
On 11/19/2012 2:42 PM, Nguyen Huu Chuong wrote:
Hi,
I don't see any specification of
Dear Nick,
Thanks for your help and sorry for not finding the similar question. I
have compiled the siesta successfully, but another error emerges in transiesta
compilation, I have no idea about this:
--
fortcom: Error: m_glob_sparse.F90, line 208: The statement followin
This question has been asked before, try and search for it.
It is a bug of the intel 10 compiler. However, it can be fixed by removing
the index of the lefthand side pointer assignment
c(1:Npol) => contour(1:Npol)
should be
c => contour(1:Npol)
etc. for the 3 following assignments...
Kind regards
Hi,
I don't see any specification of the output format. Are sure this is not simply
a problem of units? by default I think distance are in Bohr with SIESTA and 2.8
Bohrs is about 1.48 angströms.
Yours,
Nguyen Huu Chuong
Institut für Festkörpertheorie
Westfälische Wilhelms-Universität
Wilhelm-K
Dear all,
I was trying to install the siesta-trunk-424 version recently. Some
error occured when I used the arch.make file to compile, but the same *.make
file can compile the siesta-trunk-421 successfully. I attached the error
information and *.make file, would anyone help me?
Best
Hi, all
I have question about the variable MeshCutoff used in Siesta. I know if I
increase the MeshCutoff higher, the results will be more accurate.
I am doing a geometry optimization of a given system, sometimes the total
energy increase a little (about 0.2 ~ 0.3 eV) when I increase the
Hi,
I am doing force minimization of graphene and after first iteration the
C-C bond length is about 2.8 ang but the optimal bond length is 1.38 ang
even after 40 iterations still the value is about 2.8 ang i donot know
what is going on. Can any one help in this regard. I have attached the
in
Dear Homa & Fei
Those errors are occurring because the script is not able to import other
integrated scripts which are located at siesta-3.1/Util/Scripting folder.
Now, all you need to do is to check availability of file eggbox_checker.py
file in SIESTA's installation directory Example:
siesta-3.1
Hi, Ankush
Thank you for your kind reply. I have encountered a problem when I run the
executable eggbox_checker.py.
$ ./eggbox_checker.py H.psf 50 H_dzp.OUT
Where the H_dzp.OUT is the basis file I have produced by gen-basis.sh. The
errors are followed:
./eggbox_checker.py: line 20: imp
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