[Pw_forum] Error in nscf calculation.

[robert.guzman]

Thanks profesor Paolo.

A possible solution would be to use another compiler? On my case I am 
using ifort.
I saw that inside espresso directory exist fortran compilers, maybe 
these compilers do not repeat this problem, That would be true?
At the moment I am making calculation one more time with espresso-4-2, 
would be espresso-4-2 more stable than espresso-5-1 in this situation?

Thank for your attention.

On 2015-01-24 12:20, Paolo Giannozzi wrote:
> On Sat, 2015-01-24 at 02:11 -0300, robert.guzman wrote:
> 
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_write_dat (iotk_dat+COMPLEX2_0.f90:1013)
> # CVS Revision: 1.27
> 
> almost invariably, iotk errors that do not have an obvious
> explanation are due to compilers that do not compile iotk
> properly.
> 
> P.
> 
> And when I try to calculate the projected density of states, inside of
> the output file was written:
> 
> Error in routine pw_readfile (1):
> error reading header of xml data file
> 
> Thus the projected density of states had not been calculated.
> 
> Please, Where is my error?
> 
> Thanks!
> 
> R.M. Guzman Arellano
> Instituto Balseiro.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum