<p>To repeat an earlier suggestion, why not add an inquire statement (or more than one at different locations) to check the file name (print it). Sometimes the compilation option -c helps. It could be something different from what you think. Just a thought.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Dec 25, 2012 11:24 AM, "Zhu, Jianxin" <<a href="mailto:jxzhu@lanl.gov">jxzhu@lanl.gov</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Gavin,<br>
<br>
You are indeed right. The block below DO 10 section will always be skipped<br>
because IF (fname(i+1:i+4) .eq. 'in1c') flcom=.true. never<br>
prevents the execution of "goto 11".<br>
<br>
So as you suggested, I move the block before the "DO 10" section. Then the<br>
problem<br>
<br>
forrtl: severe (59): list-directed I/O syntax error, unit 30, file<br>
/Users/jxzhu/Research/lapw_dta/fcc-Np/fcc-Np.energysoup<br>
Image PC Routine Line Source<br>
<br>
<br>
<br>
> stop error<br>
<br>
remains (mysteriously!) when the SCRATCH absolute path is too long.<br>
<br>
Thanks,<br>
<br>
Jianxin<br>
<br>
<br>
<br>
-----Original Message-----<br>
From: Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>><br>
Reply-To: A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
Date: Mon, 24 Dec 2012 12:37:26 -0700<br>
To: A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
Subject: Re: [Wien] Some interesting observation with "runsp_lapw -so<br>
-orb"on Mac OSX<br>
<br>
>Your statement in lapwso.f never runs:<br>
><br>
>! find out whether orb potential should be added (iorbpot=1)<br>
> if(iunit.eq.12)then<br>
> iorbpot=1<br>
> endif<br>
><br>
>It gets skipped over by the goto 11 in:<br>
><br>
> DO 10 I = LEN(fname), 1, -1<br>
> IF (fname(I:I) .EQ. '.') THEN<br>
> IF (fname(i+1:i+4) .eq. 'in1c') flcom=.true.<br>
> goto 11<br>
> ENDIF<br>
> 10 CONTINUE<br>
><br>
>You could put the statement before, but not after the DO 10 section.<br>
><br>
>On 12/23/2012 7:38 PM, Zhu, Jianxin wrote:<br>
>> Dear Peter,<br>
>><br>
>><br>
>> In my previous message, I sent you the two files with the changes based<br>
>>on<br>
>> what you suggested.<br>
>> For a given case with given values of U and J, "runsp_lapw -so -orb"<br>
>> converges nicely.<br>
>> Just now, when I changed to use other values of U and J, the above run<br>
>> seems to not see the use of new U and J values and just stops at the<br>
>>first<br>
>> iteration.<br>
>><br>
>><br>
>><br>
>> Cheers,<br>
>><br>
>> Jianxin<br>
><br>
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</blockquote></div>