Hi 2 all,<br><br> I have installed QE 4.0.2 on cluster with openMPI but when i am running my jobscript with the command <br><br>mpirun -np 4 /home/devsharma/espresso-4.0.2/bin/pw.x -in yvo.inp> scf.out<br> <br>i am getting an error massage in the terminal <br>
<br>MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD <br>with errorcode 0.<br><br>NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.<br>You may or may not see output from other processes, depending on<br>
exactly when Open MPI kills them.<br>--------------------------------------------------------------------------<br>--------------------------------------------------------------------------<br>mpirun has exited due to process rank 2 with PID 7437 on<br>
node <a href="http://headnode.du.ac.in">headnode.du.ac.in</a> exiting without calling "finalize". This may<br>have caused other processes in the application to be<br>terminated by signals sent by mpirun (as reported here).<br>
--------------------------------------------------------------------------<br>[<a href="http://headnode.du.ac.in:07434">headnode.du.ac.in:07434</a>] 3 more processes have sent help message help-mpi-api.txt / mpi-abort<br>
[<a href="http://headnode.du.ac.in:07434">headnode.du.ac.in:07434</a>] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages<br><br>[1]+ Exit 1 sh submit.sh<br>==========================================================<br>
and also the scf Output is <br><br>Program PWSCF v.4.0.2 starts ...<br> Today is 24Aug2009 at 13:37: 5<br><br> Parallel version (MPI)<br><br> Number of processors in use: 4<br> R & G space division: proc/pool = 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>Warning: card &IONS ignored<br>Warning: card / ignored<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from readpp : error # 29<br>
file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from readpp : error # 29<br> file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from readpp : error # 29<br> file /home/devshama/pseudo/Y.pbe-nsp-van.UPF not found<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br>Please help me, as i am not very much expert in Linux. what does this error means?? Please guide,<br>
Thanks in Advance,<br><br>With regards,<br>Dev Sharma,<br>University of Delhi,<br>India<br> <br>