Dear Torstein, I dont see anything strange in the input file. What could happen is that all the cpu do not see the same "HOME" or/and "SCRATCH". NEB assumes that the input are in ./ and that every cpu knows what is ./ and have the same ./ . First control that the code has generated correctly the files neb.dat and <a href="http://pw_i.in">pw_i.in</a>, <a href="http://pw_2.in">pw_2.in</a> in your running directory. If yes, you can overcome the problem with the file system changing inside the file neb.f90 ( espresso/NEB/src) :<br>
<br>open(unit=stdinpath,file="neb.dat",status="old")<br><br>with <br><br>open(unit=stdinpath,file="PATH_TO_YOUR_RUNNING_DIR/neb.dat",status="old")<br><br>and change the two occurrence of <br>
<br>OPEN(unit_tmp, file=trim(engine_prefix)//"<a href="http://1.in">1.in</a>")<br><br>with <br><br>OPEN(unit_tmp, file="PATH_TO_YOUR_RUNNING_DIR"//"trim(engine_prefix)//"<a href="http://1.in">1.in</a>")<br>
<br>and recompile.<br><br>cheers<br><br>Layla<br><br><div class="gmail_quote">2012/3/19 Torstein Fjermestad <span dir="ltr"><<a href="mailto:torstein.fjermestad@kjemi.uio.no">torstein.fjermestad@kjemi.uio.no</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Layla,<br>
<br>
The file is attached.<br>
Thank you very much for your help.<br>
<br>
Yours sincerely,<br>
<br>
Torstein Fjermestad<div class="HOEnZb"><div class="h5"><br>
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On Mon, 19 Mar 2012 14:53:29 +0100, Layla Martin-Samos <<a href="mailto:lmartinsamos@gmail.com" target="_blank">lmartinsamos@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Torstein could you send the file input.inp, just to try to<br>
reproduce the error in an other machine?<br>
<br>
bests<br>
<br>
Layla<br>
<br>
</blockquote>
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</div></div></blockquote></div><br>