<div dir="ltr">Dear Dr. Paolo<div><br></div><div style>On Mon, Mar 4, 2013 at 2:30 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it" target="_blank">giannozz@democritos.it</a>></span> wrote:<br>
</div><div class="gmail_extra"><div class="gmail_quote"><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"><div class="im">
On Mon, 2013-03-04 at 12:46 +0530, Krishna chaitanya wrote:<br>
<br>
> [scs1@srtmun testruns_gkc]$ ./uspp2upf.x<br>
> Input file > bi_ps.uspp<br>
> At line 42 of file vanderbilt.f90<br>
> Fortran runtime error: End of file<br>
<br>
</div>uspp2f90.x converts the binary format. Are you sure bi_ps.uspp<br>
is in binary format, compatible with what your machine expects?<br></blockquote><div><br></div><div>I have compiled <span style="font-size:13px;font-family:arial,sans-serif">Vanderbilt's code in the same LINUX machine with ifort compiler. I dont know whether there will be compatibility problem could be there. </span><br>
</div><div> </div><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">
Vanderbilt's code contains a utility to convert to "formatted"<br>
format, by the way, which can be directly read by QE<br></blockquote><div><br></div><div style>Now I have given the formatted potential in the PWSCF input but the error in output is like this.</div><div style><br></div><div style>
(the last part of the output)</div><div style>      Reading input from standard input</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div>     from read_ncpp : error #         1</div>
<div>     pseudo file is empty or wrong</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>     stopping ...</div><div>rank 0 in job 11  srtmun.ac.in_49477   caused collective abort of all ranks</div>
<div>  exit status of rank 0: return code 0</div><div><br></div><div style>Please suggest me something.</div><div style><br></div><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">

<span class=""><font color="#888888"><br>
P.<br>
<br>
--<br>
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy<br>
<br>
<br>
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br>With Best Regards<br><br>Dr. G. Krishna Chaitanya<br>Assistant Professor<br>School of Chemical Sciences<br>SRTM University<br>Nanded-431 606<br>India.<br>

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