[Pw_forum] problem with bands.x and iotk

[Ali KACHMAR]

> 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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