Dear All, <br>I am writing to you since I'm attempting to run PWscf jobs on the NGS (national grid service <a href="http://www.grid-support.ac.uk/">http://www.grid-support.ac.uk/</a>) provide here in UK without any good result. Under the help of one person in charge of the ngs I was able to compile PWscf (release 4.0.5) on it. This grid use particular and non free mpi called Platform-mpi (<a href="http://www.scali.com/Products/platform-mpi">http://www.scali.com/Products/platform-mpi</a>). Then, I compiled espresso using Intel FORTRAN and C compiler and these mpi libraries. <br>
Now when I try to run a job on the grid, what I get out is reported as below: <br> <br><font size="1"> Program PWSCF v.4.0.5 starts ...<br> Today is 14May2009 at 9:23: 5<br><br> Parallel version (MPI)<br><br>
Number of processors in use: 8<br> R & G space division: proc/pool = 8<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 # 17<br> reading namelist control<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from read_namelists : error # 17<br> from read_namelists : error # 17<br> reading namelist control<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font><br><br><font size="1">TID HOST_NAME COMMAND_LINE STATUS TERMINATION_TIME<br>===== ========== ================ ======================= ===================<br>
00000 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>00001 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:06<br>00002 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>
00003 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>00004 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>00005 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>
00006 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05<br>00007 cn54.ngs.r /home/ngs0802/bi Exit (2) 05/14/2009 09:23:05</font><br><br clear="all">Initially, I thought it was related to my input and I tried to run it on my normal cluster PC, that use OpenMPI, and it seems to work as normally it should be. What I am suppose to do? Do you have any suggestion? Anyone do you know how to manage it ? <br>
<br>Best Regards, Piero<br>-- <br>Pieremanuele Canepa<br>Room 230<br>School of Physical Sciences, Ingram Building,<br>University of Kent, Canterbury, Kent,<br>CT2 7NH<br>United Kingdom<br>-----------------------------------------------------------<br>
<br>