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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hi all,<br>
I'm trying to compile quantum espresso in parallel version, after using ./configure command i got this:<br>
<i>Parallel environment detected successfully.\<br>
Configured for compilation of parallel executables.</i><br>
<br>
After that I typed make all to get all executable which done without showing any errors. So I tried to run a relaxation system which is carbon nanotube using this command line:<br>
<i>mpirun -np 8 pw.x cnt.inp</i><br>
Then, <br>
<br>
<i>Program PWSCF v.5.0.2 (svn rev. 9392) starts on 4Jun2013 at 10:32: 1 <br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
URL http://www.quantum-espresso.org", <br>
in publications or presentations arising from this work. More details at<br>
http://www.quantum-espresso.org/quote.php<br>
<br>
Parallel version (MPI), running on 8 processors<br>
R & G space division: proc/nbgrp/npool/nimage = 8<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>
Waiting for input...</i><br>
And it keep saying "waiting for input" for a very long time!!<br>
I found a way to check the above which is : <tt>pw.x -inp</tt> and the input file name, but I got this error:<br>
<br>
Program PWSCF v.5.0.2 (svn rev. 9392) starts on 4Jun2013 at 10:35:23 <br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
URL http://www.quantum-espresso.org", <br>
in publications or presentations arising from this work. More details at<br>
http://www.quantum-espresso.org/quote.php<br>
<br>
Parallel version (MPI), running on 1 processors<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>
Reading input from cnt.in<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine read_namelists (1):<br>
reading namelist ions<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<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>
Can any one help me out.<br>
<br>
Regards,<br>
Mahmoud<br>
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