[Pw_forum] problem with bands.x and iotk

[Krishna chaitanya]

Dear forum members

Sorry to post the same message again. But even gfortran version 4.7.2 is
also giving same error with iotk. Can anybody suggest me the appropriate
combination of compilers (with version numbers) for PWSCF v5.0?


On Wed, Mar 13, 2013 at 6:41 PM, Ali KACHMAR <kachmar_ali at hotmail.fr> wrote:

>
> > From: giannozz at democritos.it
> > To: pw_forum at pwscf.org
> > Date: Fri, 30 Nov 2012 12:48:55 +0100
> > Subject: Re: [Pw_forum] ERROR IN: iotk_scan_end (iotk_scan.f90:241)
>
> >
> > On Fri, 2012-11-30 at 16:27 +0530, Bramha Pandey wrote:
> >
> > > # FROM IOTK LIBRARY, VERSION 1.2.0
> > > # UNRECOVERABLE ERROR (ierr=1)
> > > # ERROR IN: iotk_scan_end (iotk_scan.f90:241)
> >
> > as mentioned no less than 1001 times: this is almost invariably a
> > gfortran bug. The only solution is to upgrade the compiler.
> >
> > P.
> > --
> > Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
> >
>
> ------------------------------
> Date: Wed, 13 Mar 2013 17:35:12 +0530
> From: krishnachaitanya.gunturu at gmail.com
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] problem with bands.x and iotk
>
>
> Dear Users
>
> When I am trying to get band structure of example file for si (
> http://www.vlab.msi.umn.edu/events/download/tutorial_pwscf_ex.pdf), in
> nscf step I am getiing this problem.
>
> [scs1 at srtmun examples_pwscf_ex]$ pw.x <si.nscf.in >si.nscf.out &
> [1] 8096
> [scs1 at srtmun examples_pwscf_ex]$
> ########################################################################################################################
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_scan_end (iotk_scan.f90:241)
> # CVS Revision: 1.23
> # foundl
> # ERROR IN: iotk_close_read (iotk_files.f90:746)
> # CVS Revision: 1.20
>
> ########################################################################################################################
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
>
> [1]+  Exit 1                  pw.x < si.nscf.in > si.nscf.out
> [scs1 at srtmun examples_pwscf_ex]$
>
>
> From forum searching, I found that it is due to mismatch of compiler
> version and latest version of compilers will solve this issue. I have
> compiled espresso-5.0-GPU on CentOS release 5.5 by using
> intel-composer_xe_2013.1.117 vesion with gfortan-4.1.2 as secondary
> compiler. But still I am getting this problem.
>
> Can anybody suggest something to overcome this problem?
>
>
> --
> With Best Regards
>
> Dr. G. Krishna Chaitanya
> Assistant Professor
> School of Chemical Sciences
> SRTM University
> Nanded-431 606
> India.
>
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-- 
With Best Regards

Dr. G. Krishna Chaitanya
Assistant Professor
School of Chemical Sciences
SRTM University
Nanded-431 606
India.
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