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Try adding to your compile options: -fno-whole-file<br>
<br>
You can read more about it here:
<a class="moz-txt-link-freetext" href="http://forums.fedoraforum.org/showthread.php?t=265072">http://forums.fedoraforum.org/showthread.php?t=265072</a><br>
<br>
On 5/14/2012 4:05 PM, Joshua Davis wrote:
<blockquote
cite="mid:CAJL4RgyyiQw_qN4qadVkWUk6X14MWd+1ETiKbn6Z84q2ORh6PA@mail.gmail.com"
type="cite">Dear Wien2k Users
<div><br>
</div>
<div>I am having trouble getting Optimize.job to run properly
properly. I have fallowed the TiC example in the Userguide, but
the code fails and the STDOUT gives the fallowing text:</div>
<div>
<br>
</div>
<div>
<div>STOP DSTART ENDS</div>
<div>4.0u 0.0s 0:04.07 99.7% 0+0k 0+384io 0pf+0w</div>
<div>STOP DSTART ENDS</div>
<div>4.0u 0.0s 0:04.07 99.7% 0+0k 0+368io 0pf+0w</div>
<div>0.0u 0.0s 0:00.02 100.0% 0+0k 0+336io 0pf+0w</div>
<div>clmextrapol_lapw has generated a new TiCNEW.clmsum</div>
<div>hup: Command not found.</div>
<div>STOP LAPW0 END</div>
<div>STOP LAPW1 END</div>
<div>STOP LAPW2 END</div>
<div>STOP CORE END</div>
<div>At line 852 of file mixer.F (unit = 22, file =
'TiCNEW.scf')</div>
<div>Fortran runtime error: Sequential READ or WRITE not allowed
after EOF marker, possibly use REWIND or BACKSPACE</div>
<div><br>
</div>
<div>> stop error</div>
<div>ERROR status in TiCNEW_vol_-10.0</div>
</div>
<div><br>
</div>
<div><br>
</div>
<div>I do not understand why the mixer does not work as a regular
SCF will converge just fine. I have also tried to remove any
extra space at the end of optimize.job, but the error is still
given.</div>
<div><br>
</div>
<div>Our Wien2K should be 11.1 and it was compiled with gfortran
4.6.1 on Ubuntu 11.10.</div>
<div>Our hardware consists of 24 6-core processors with 48 Gbs of
ram and 48 Gbs of scratch.</div>
<div>We use Open MPI, and I believe our BLAS library is the one
supplied with Wien2K.</div>
<div>(I have ran plenty of regular SCF files in parallel mode
(lapw#para) just fine. However, for the problem mentioned above
I have not activated parallel mode, and I have fallowed the
Userguide the best I can: 1000 k point input, 3% RMT reduction,
-6.0Ry separation, pot: PBE'96, RKmax:7.00, GMax:12.00)</div>
<div><br>
</div>
<div>Thanks for any help</div>
<div><br>
</div>
<div>Josh</div>
<br>
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</pre>
</blockquote>
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