[Pw_forum] Error in cppp.x

Ramiro Cardona ramirocardona at gmail.com
Thu May 22 16:01:19 CEST 2008


Dear all

I'm trying to run the tutorial examples h2o_mol1.in and
h2o_mol.cppp-dens.in in page:
http://people.sissa.it/~degironc/QE-Tutorial/tutorial_cp.htm

cp.x < h2o.mol1.in
runs OK

but cppp.x < h2o_mol.cppp-dens.in
shows the following error:

# FROM IOTK LIBRARY, VERSION 1.1.0development
# UNRECOVERABLE ERROR (ierr=-1)
# ERROR IN: iotk_scan_dat (iotk_dat.spp:768)
# CVS Revision: 1.5
# Dat not found
name=ATOM_TYPE

I'm using espresso 4.0 and gfortran compiler. But wit ifort we have the same
error

With espresso-3.2.3 both commands run OK (no errors)

Best regards

Ramiro Cardona
Physics Departament
Universidad Nacional de Colombia
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