Pb running NWChem

From: Pascal Boulet <P.Boulet ^at^ qmul.ac.uk>
Organization: Queen Mary, University of London
Subject: Pb running NWChem
Date: Sat, 09 Feb 2002 16:55:19 +0000

 Dear CCLers,
 I'm a new user of NWChem and I have a problem to run it. Obviously
 something is wrong in my input file which begins with:
 start texas
 echo
 scratch_dir /tmp/uqpascal/NWCHEM
 title "texas clay optim"
 geometry units an
   zmatrix
 o1
 si2       1 sio2
 o3       2 osi3       1 osi2o3
 al4       1 alo4       2 alosi4       3 dih4
 etc...
 NWChem dumps correctly the input file into the output file. Then come
 the copyright information, the job information, the memory information
 and the directory information sections. All these sections are ok. Then
 I have the following lines:
                                 NWChem Input Module
                                 -------------------
  ------------------------------------------------------------------------
  input_title: title ; <title>        0
  ------------------------------------------------------------------------
  ------------------------------------------------------------------------
   current input line :
      5: title "texas clay optim"
  ------------------------------------------------------------------------
   0:0:input_title: title ; <title>: 0(0)
 In the error file I only get:
 0:0:input_title: title ; <title>: 0(0)
 system message: Error 0
 All ideas about how to solve the problem are welcome.
 Thanks in advance,
 Pascal
 --
 Dr. Pascal Boulet
 Queen Mary, University of London
 Centre for Computational Science
 Department of Chemistry
 Mile End Road
 London, E1 4NS
 UK
 Phone: (+44) (0)20 7882 7759
 fax:   (+44) (0)20 7882 7794