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<div class="moz-cite-prefix">On 06.04.2016 00:37, Yangchuan Li
wrote:<br>
</div>
<blockquote
cite="mid:CAOqronDRb7sBfHQSwo5swneezxZGhbrmRE-LGj0kHLj_c9DTYA@mail.gmail.com"
type="cite">
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<div>Dear QE users,</div>
<div><br>
</div>
<div>I try to run the pw.x example01 in parallel, but it seems
the program can't run correctly. I installed mpich2 and the
parallel environment was detected also compiled it
successfully. I run it by "mpirun -np 2 pw.x < in >
out". The problem is shown below. How can I fix it? Also, if
this issue doesn't bother you, could you please tell me what
mpi package you used and how you configure the parallel run
environment? Frankly, I am not an expert in Linux. </div>
<div>Any comment will be appreciated! Thank you.</div>
<div><br>
</div>
<div>****** below is the relevant output lines *************** </div>
<div><br>
</div>
<div>
<div> Program PWSCF v.5.2.0 starts on 5Apr2016 at 15:14:
4 </div>
<div><br>
</div>
<div> Parallel version (MPI), running on 1 processors</div>
<div> Waiting for input...</div>
<div> Reading input from standard input</div>
<div> Message from routine read_cards :</div>
<div> DEPRECATED: no units specified in ATOMIC_POSITIONS
card</div>
<div> Message from routine read_cards :</div>
<div> ATOMIC_POSITIONS: units set to alat</div>
<div><br>
</div>
<div> Current dimensions of program PWSCF are:</div>
<div> Max number of different atomic species (ntypx) = 10</div>
<div> Max number of k-points (npk) = 40000</div>
<div> Max angular momentum in pseudopotentials (lmaxx) =
3</div>
<div><br>
</div>
<div> Program PWSCF v.5.2.0 starts on 5Apr2016 at 15:14:
4 </div>
<div><br>
</div>
<div> Parallel version (MPI), running on 1 processors</div>
<div> Waiting for input...</div>
<div> Reading input from standard input</div>
<div><br>
</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine read_namelists (1):</div>
<div> reading namelist control</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div><br>
</div>
</div>
</div>
</blockquote>
Hi!<br>
<br>
This is not MPI related issue, in fact there are some errors in
&control block of your input file.<br>
<br>
It is easy to distinguish internal QE-errors from environment one.
In former case QE create CRASH file in the working directory with
error description.<br>
<br>
Hope this helps,<br>
M.V.Kondrin,<br>
High Pressure Physics Institute RAS <br>
<blockquote
cite="mid:CAOqronDRb7sBfHQSwo5swneezxZGhbrmRE-LGj0kHLj_c9DTYA@mail.gmail.com"
type="cite">
<div dir="ltr">
<div>
<div> stopping ...</div>
<div><br>
</div>
<div> Subspace diagonalization in iterative solution of
the eigenvalue problem:</div>
<div> a serial algorithm will be used</div>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Best,</div>
<div>Yangchuan Li</div>
<div>Graduate Research Assistant</div>
<div>Mechanical Engineering</div>
<div>University of Texas at Austin</div>
<div><br>
</div>
<div><br>
</div>
</div>
<br>
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