<div dir="ltr"><div class="gmail_extra"><div><div><br></div></div><div class="gmail_quote">On Thu, Apr 25, 2013 at 12:00 PM, <span dir="ltr">Alberto</span> wrote:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<br><br>
I've had problems letting neb.x read the input. I need to use load leveler<br>
and runjob. The command in the script I used looks like this:<br>
<br>
runjob --np 16 --ranks-per-node 8 --envs OMP_NUM_THREADS=4 --exe neb.x<br>
-inp <a href="http://input_neb.in" target="_blank">input_neb.in</a> >> out_scf<br>
<br>
The neb.x program is unable to find any input, and gives me the following<br>
error:<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine string_methods (1):<br>
Neither a file to parse nor input files for each image found<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
Anyone knows how to let the program read the input?<br>
Thank you,<br>
Alberto<br>
<br><br></blockquote><div><br></div> Dear Alberto</div><div class="gmail_quote"><br></div><div class="gmail_quote"> A simple script like the following line always function on Linux machines:</div><div class="gmail_quote">
<br></div><div class="gmail_quote"> mpirun -np 16 /PATH/To/QE/neb.x -inp A.in > A.out</div><div class="gmail_quote"><br></div><div class="gmail_quote" style> try this simple on or do it once with one CPU to check out your neb.x binary file. </div>
<div class="gmail_quote" style> I hope it helps.</div><div><br><br clear="all"><div><br> Best Wishes, m<br><br> <br>
<br><br><br>----------------------------------------<br>Masoud Nahali<br>SUT<br><a href="mailto:masoud.nahali@gmail.com" target="_blank">masoud.nahali@gmail.com</a> <br><a href="http://alum.sharif.edu/~m_nahali" target="_blank">alum.sharif.edu/~m_nahali</a> </div>
<div> </div></div></div></div>