Hi,<br>"<br> reading namelist control "<br>means that there is something wrong with your input file. therefore, you need send your input file to the forum, or please check it thorough by yourself.<br><br>Regards<br>
<br><div class="gmail_quote">On Tue, Jan 6, 2009 at 11:53 AM, Jonas Baltrusaitis <span dir="ltr"><<a href="mailto:jasius_1@yahoo.com">jasius_1@yahoo.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Not sure why, but program aborts with the following error. The input script is below, I was trying to run first test example<br>
<br>
#!/bin/bash<br>
#PBS -l nodes=1:ppn=4<br>
#PBS -S /bin/bash<br>
#PBS -j eo<br>
#PBS -e atom-lsda.err<br>
#PBS -V<br>
<br>
cd $PBS_O_WORKDIR<br>
<br>
echo "Current working directory is `pwd`"<br>
<br>
echo "Node file: $PBS_NODEFILE :"<br>
echo "---------------------"<br>
cat $PBS_NODEFILE<br>
echo "---------------------"<br>
<br>
echo "Starting run at: `date`"<br>
<br>
export PATH=${PATH}:/share/apps/espresso-4.0.4/bin<br>
<br>
<br>
mpiexec -np 4 -machinefile $PBS_NODEFILE /share/apps/espresso-4.0.4/bin/pw.x -npool 8 < atom-lsda<br>
<br>
<br>
<br>
echo "Job finished at: `date`"<br>
<br>
Error:<br>
<br>
Current working directory is /home/jbaltrus/atom-lsda<br>
Node file: /opt/torque/aux//<a href="http://130.address.edu" target="_blank">130.address.edu</a> :<br>
---------------------<br>
compute-0-1<br>
compute-0-1<br>
compute-0-1<br>
compute-0-1<br>
---------------------<br>
Starting run at: Mon Jan  5 21:44:50 CST 2009<br>
<br>
     Program PWSCF     v.4.0.4  starts ...<br>
     Today is  5Jan2009 at 21:44:51<br>
<br>
     Parallel version (MPI)<br>
<br>
     Number of processors in use:       4<br>
     K-points division:     npool     =    4<br>
<br>
     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW<br>
<br>
     Current dimensions of program pwscf are:<br>
     Max number of different atomic species (ntypx) = 10<br>
     Max number of k-points (npk) =  40000<br>
     Max angular momentum in pseudopotentials (lmaxx) =  3<br>
<br>
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
     from  read_namelists  : error #         1<br>
      reading namelist control<br>
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
     stopping ...<br>
<br>
<br>
<br>
<br>
<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>