[Pw_forum] problem with bands.x and iotk

[Krishna chaitanya]

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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