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Using:<br>
<br>
64 bit Ubuntu 16.04.4 LTS<br>
WIEN2k 17.1 (with the siteconfig, libxc, and gfortran patches [
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1</a> ])<br>
username@computername:~$ gfortran --version<br>
GNU Fortran (Ubuntu 5.4.0-6ubuntu1~16.04.9) 5.4.0 20160609<br>
<br>
In SRC_lapw1/inilpw.f, I added a print statement after line 196:<br>
<br>
READ (1,*,END=20,ERR=960) IUNIT,FNAME,STATUS,FORM,IRECL<br>
print*,'iunit = ',IUNIT<br>
<br>
then recompiled using siteconfig and executed "run_lapw -it".<br>
<br>
For ifort, it prints out all units for me as expected in the
case.dayfile:<br>
<br>
iunit = 4<br>
iunit = 5<br>
iunit = 6<br>
...<br>
iunit = 200<br>
<br>
With gfortran, it prints only the first three units in the
case.dayfile for me from the lapw1.def file:<br>
<br>
iunit = 4<br>
iunit = 5<br>
iunit = 6<br>
<br>
Does the same thing happen for you? Part of the problem might be
that IUNIT of 200 is never read such that it is not opened on line
214 in inilpw.f because of a gfortran issue with the READ statement
on line 196. Changing the file iunit of 5 and 6 to say 65 and 66 in
x_lapw and all the source files in SRC_lapw1 seems to get the print
statement that was added on line 197 to produce the same output as
ifort.<br>
<br>
However, an empty case.storeHinv_proc_0 file is still produced that
results in that error on line 140 of the file
SRC_lapw1/jacdavblock.F.<br>
<br>
Before the write(200) statement on line 140 in jacdavblock.F, there
is a read(200,iostat=ios) statement on line 96. I'm not yet sure,
but I'm wondering if a rewind or backspace statement has to be used
after the read before the write statement is performed on line 140.<br>
<br>
After the endo on line 99, if I put on line 100:<br>
<br>
rewind(200)<br>
<br>
Then, a non-empty case.storeHinv_proc_0 is produced and the "WRITE
not allowed after EOF marker" error goes away. Though, I may not
have the logic quite right yet even though the error disappears. If
someone else has time to further look into the problem, then
hopefully this information can help.<br>
<br>
The source of the error is likely similar to what has been reported
before:<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16674.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16674.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13671.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13671.html</a><br>
<br>
<blockquote type="cite"
cite="mid:CAFecpwjw6WxAk2AvRQiOs5WiFp5chGuNOo+-d0TLwU395tDp7Q@mail.gmail.com">
<div dir="ltr">
<div>whenever I try to run a simulation with "-it" flag the
simulations fail in the second cycle with a "Fortran runtime
error". In this example I am doing TiC from the UG and
executing the command "run_lapw -it":</div>
<div><br>
</div>
<blockquote style="margin:0 0 0 40px;border:none;padding:0px">
<div>
<div><font face="monospace, monospace">hup: Command not
found.</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP LAPW0 END</font></div>
</div>
<div>
<div><font face="monospace, monospace">foreach: No match.</font></div>
</div>
<div>
<div><font face="monospace, monospace">Note: The following
floating-point exceptions are signalling: IEEE_DENORMAL</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP LAPW1 END</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP LAPW2 END</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP CORE END</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP MIXER END</font></div>
</div>
<div>
<div><font face="monospace, monospace">ec cc and fc_conv 0 1
1</font></div>
</div>
<div>
<div><font face="monospace, monospace">in cycle 2 ETEST:
0 CTEST: 0</font></div>
</div>
<div>
<div><font face="monospace, monospace">hup: Command not
found.</font></div>
</div>
<div>
<div><font face="monospace, monospace">STOP LAPW0 END</font></div>
</div>
<div>
<div><font face="monospace, monospace">At line 140 of file
jacdavblock_tmp_.F (unit = 200, file =
'./TiC.storeHinv_proc_0')</font></div>
</div>
<div>
<div><font face="monospace, monospace">Fortran runtime
error: Sequential READ or WRITE not allowed after EOF
marker, possibly use REWIND or BACKSPACE</font></div>
</div>
<div>
<div><font face="monospace, monospace"><br>
</font></div>
</div>
<div>
<div><font face="monospace, monospace">> stop error</font></div>
</div>
</blockquote>
<div><br>
</div>
<div>The "TiC.storeHinv_proc_0" file is empty and I can't find
the file "<span
style="color:rgb(34,34,34);font-family:monospace,monospace;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">jacdavblock_tmp_.F"</span>.
What could be the problem?</div>
</div>
</blockquote>
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