I tried like this: mpirun -np 2 ~/bin/pp.x input.inp output.out. But there is no reponce after that command. It seems it wasnot running at all.<br><br>
<div class="gmail_quote">On Fri, Dec 26, 2008 at 11:31 AM, Jiaye, Li <span dir="ltr"><<a href="mailto:jameslipd@gmail.com">jameslipd@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>Dear all</div>
<div> </div>
<div>I installed parallel version of pwscf on my FC10. I am going to calculate the workfunction of a surface, the first step via pw.x is done successfully, but pp.x seems doesn't work, it reports errors:</div>
<div><br> Program POST-PROC v.4.0.3 starts ...<br> Today is 26Dec2008 at 19:12:45</div>
<div> Parallel version (MPI)</div>
<div> Number of processors in use: 1</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from postproc : error # 225<br> reading inputpp namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> stopping ...<br>[0] MPI Abort by user Aborting program !<br>[0] Aborting program!<br></div>
<div>Could anybody help me with me? At the first glance, it seems to be the error of MPI, however, there is no problem with pw.x. So I am confused.<br clear="all"><br>-- <br>Sincerely<br><br>Jiaye Li<br><br><br><br>==============================================<br>
Li, Jiaye<br><br>M.S. in designing and developing novel materials<br><br>Research experience: <br>*ALD precursor. ie. Metal complexes<br>*Surface modification. ie. Indium tin oxide, SiO2<br>*Gas storage and adsorption. ie. Ionic Liquids<br>
<br>Skills:<br>*ab-initial method, DFT simulation and Force Field simulation<br><br>Please contact me at: <br>1. <a href="mailto:jameslipd@gmail.com" target="_blank">jameslipd@gmail.com</a> or<br>2. <a href="mailto:jameslibd@gmail.com" target="_blank">jameslibd@gmail.com</a><br>
<br>==============================================<br></div></blockquote></div><br><br clear="all"><br>-- <br>Sincerely<br><br>Jiaye Li<br><br><br><br>==============================================<br>Li, Jiaye<br><br>M.S. in designing and developing novel materials<br>
<br>Research experience: <br>*ALD precursor. ie. Metal complexes<br>*Surface modification. ie. Indium tin oxide, SiO2<br>*Gas storage and adsorption. ie. Ionic Liquids<br><br>Skills:<br>*ab-initial method, DFT simulation and Force Field simulation<br>
<br>Please contact me at: <br>1. <a href="mailto:jameslipd@gmail.com">jameslipd@gmail.com</a> or<br>2. <a href="mailto:jameslibd@gmail.com">jameslibd@gmail.com</a><br><br>==============================================<br>