[Pw_forum] from read_namelists : error # 1

[Jonas Baltrusaitis]

Not sure why, but program aborts with the following error. The input script is below, I was trying to run first test example

#!/bin/bash
#PBS -l nodes=1:ppn=4
#PBS -S /bin/bash
#PBS -j eo
#PBS -e atom-lsda.err
#PBS -V

cd $PBS_O_WORKDIR

echo "Current working directory is `pwd`"

echo "Node file: $PBS_NODEFILE :"
echo "---------------------"
cat $PBS_NODEFILE
echo "---------------------"

echo "Starting run at: `date`"

export PATH=${PATH}:/share/apps/espresso-4.0.4/bin


mpiexec -np 4 -machinefile $PBS_NODEFILE /share/apps/espresso-4.0.4/bin/pw.x -npool 8 < atom-lsda



echo "Job finished at: `date`" 

Error:

Current working directory is /home/jbaltrus/atom-lsda
Node file: /opt/torque/aux//130.address.edu :
---------------------
compute-0-1
compute-0-1
compute-0-1
compute-0-1
---------------------
Starting run at: Mon Jan  5 21:44:50 CST 2009

     Program PWSCF     v.4.0.4  starts ...
     Today is  5Jan2009 at 21:44:51 

     Parallel version (MPI)

     Number of processors in use:       4
     K-points division:     npool     =    4

     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW

     Current dimensions of program pwscf are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #         1
      reading namelist control 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...