[Pw_forum] Error while running nscf calculation

Amitha amitharani at nal.res.in
Wed Dec 30 12:53:51 CET 2015


Dear QE users
I am trying to run nscf calculation prior to my DOS calculation, but I 
am getting this error. Here are my scf in/out files and my nscf input 
file and error msg.
Thanks
amita

Error msg
cmdModule.c(600):ERROR:50: Cannot open file 
'/usr/share/modules/modulefiles/intel_11.1.073' for 'reading'
cmdModule.c(600):ERROR:50: Cannot open file 
'/usr/share/modules/modulefiles/intel_11.1.073' for 'reading'
cmdModule.c(600):ERROR:50: Cannot open file 
'/usr/share/modules/modulefiles/intel_11.1.073' for 'reading'
########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_getline (iotk_scan.f90:947)
# CVS Revision: 1.23
#
iostat=-1
# ERROR IN: iotk_scan_tag (iotk_scan.f90:593)
# CVS Revision: 1.23
# ERROR IN: iotk_scan (iotk_scan.f90:821)
# CVS Revision: 1.23
# 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


-- 
best wishes
amitha

Dr.B.E.Amitha rani
Principal Scientist
SED,NAL, Bangalore
9481025441
080-25086473
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Al_C4_scf.out
Type: text/x-pascal
Size: 70936 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151230/58270f44/attachment.bin>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: Al_C4_scf.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151230/58270f44/attachment.ksh>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Al_C4_nscf.out
Type: text/x-pascal
Size: 1346 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151230/58270f44/attachment-0001.bin>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: Al_C4_nscf.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151230/58270f44/attachment-0001.ksh>


More information about the users mailing list