Dear all<br><br>I'm trying to run the tutorial examples <a href="http://h2o_mol1.in">h2o_mol1.in</a> and <a href="http://h2o_mol.cppp-dens.in">h2o_mol.cppp-dens.in</a> in page:<br><a href="http://people.sissa.it/~degironc/QE-Tutorial/tutorial_cp.htm">http://people.sissa.it/~degironc/QE-Tutorial/tutorial_cp.htm</a><br>
<br>cp.x < <a href="http://h2o.mol1.in">h2o.mol1.in</a> <br>runs OK<br><br>but cppp.x < <a href="http://h2o_mol.cppp-dens.in">h2o_mol.cppp-dens.in</a><br>shows the following error:<br><br># FROM IOTK LIBRARY, VERSION 1.1.0development<br>
# UNRECOVERABLE ERROR (ierr=-1)<br># ERROR IN: iotk_scan_dat (iotk_dat.spp:768)<br># CVS Revision: 1.5 <br># Dat not found<br>name=ATOM_TYPE<br><br>I'm using espresso 4.0 and gfortran compiler. But wit ifort we have the same error<br>
<br>With espresso-3.2.3 both commands run OK (no errors)<br><br>Best regards<br><br>Ramiro Cardona<br>Physics Departament<br>Universidad Nacional de Colombia<br><br>