Please modify flfrc line from flfrc = Al4.fc to flfrc = 'Al4.fc' ~~~~ It is a small careless mistake~<br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>        

</div><br><pre><br>At&nbsp;2011-07-13&nbsp;22:47:39，"Guntram&nbsp;Schmidt"&nbsp;&lt;guntram.schmidt@chemie.uni-halle.de&gt;&nbsp;wrote:

&gt;Dear&nbsp;All,

&gt;

&gt;I'm&nbsp;trying&nbsp;to&nbsp;get&nbsp;QHA&nbsp;working&nbsp;on&nbsp;our&nbsp;clusters.

&gt;When&nbsp;I&nbsp;try&nbsp;to&nbsp;run&nbsp;the&nbsp;first&nbsp;example&nbsp;(Al),&nbsp;I&nbsp;get&nbsp;the&nbsp;above&nbsp;error.

&gt;I&nbsp;don't&nbsp;know&nbsp;this&nbsp;matdyn&nbsp;-&nbsp;here&nbsp;is&nbsp;the&nbsp;corresponding&nbsp;input-file,&nbsp;created&nbsp;

&gt;by&nbsp;Run_Me:

&gt;

&gt;

&gt;&amp;input

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;amass(1)=26.98,

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;asr='crystal',

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;flfrc=Al4.fc,

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;flfrq='frequency'

&gt;&amp;end

&gt;&nbsp;&nbsp;455

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;.50000&nbsp;&nbsp;&nbsp;&nbsp;.50000&nbsp;&nbsp;&nbsp;&nbsp;.00000&nbsp;&nbsp;&nbsp;1.00000

&gt;...

&gt;...

&gt;...

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;.50000&nbsp;&nbsp;&nbsp;&nbsp;.04167&nbsp;&nbsp;&nbsp;&nbsp;.04167&nbsp;&nbsp;&nbsp;1.00000

&gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;.50000&nbsp;&nbsp;&nbsp;&nbsp;.00000&nbsp;&nbsp;&nbsp;&nbsp;.00000&nbsp;&nbsp;&nbsp;1.00000

&gt;EOF

&gt;

&gt;

&gt;The&nbsp;error&nbsp;message&nbsp;is:

&gt;

&gt;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

&gt;&nbsp;&nbsp;&nbsp;&nbsp;0:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;from&nbsp;matdyn&nbsp;:&nbsp;error&nbsp;#&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;49

&gt;&nbsp;&nbsp;&nbsp;&nbsp;0:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;reading&nbsp;input&nbsp;namelist

&gt;&nbsp;&nbsp;&nbsp;&nbsp;0:&nbsp;

&gt;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

&gt;&nbsp;&nbsp;&nbsp;&nbsp;0:

&gt;&nbsp;&nbsp;&nbsp;&nbsp;0:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;stopping&nbsp;...

&gt;

&gt;

&gt;I&nbsp;had&nbsp;to&nbsp;start&nbsp;it&nbsp;via&nbsp;our&nbsp;mpi-loadleveler&nbsp;-&nbsp;which&nbsp;shouldn't&nbsp;affect&nbsp;this&nbsp;

&gt;errors,&nbsp;imho.

&gt;

&gt;Any&nbsp;ideas&nbsp;on&nbsp;this?

&gt;Thanks,

&gt;Guntram

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