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<p>Did you notice in the siteconfig script of WIEN2k 18.1 how RP now
only seems to be coded to work for gfortran. For example lines
1334-1342:<br>
</p>
if ($FC == "gfortran") then<br>
echo ""<br>
echo " Since you use gfortran you might need to specify
additional libraries."<br>
echo " You have to make sure that all necessary libraries are
present (e.g. MPI, ...)"<br>
echo " and can be found by the linker (specify, if necessary,
-L/Path_to_library )\!"<br>
echo ""<br>
echo " RP Parallel-Libs for gfortran: $RP_LIBS"<br>
echo ""<br>
endif<br>
<br>
If you remove the surrounding if statement, it should be able to
give the feature through "O Compiling Options (Compiler/Linker,
Libraries)" -> "PO Parallel options". However, you may have to
edit other related RP_LIBS if statement lines in siteconfig to get
it to write to WIEN2k_OPTIONS and the multiple Makefile.<br>
<br>
<div class="moz-cite-prefix">On 7/11/2018 9:41 PM, Laurence Marks
wrote:<br>
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<blockquote type="cite"
cite="mid:CANkSMZBwabrxAWFV83RUhLes5S0+FfEu4bb0BovUGfMkhzHxUg@mail.gmail.com">
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<div>Two parts:</div>
a) All the framework Makefile.orig files include either
<div> RP_LIBS = ... $(R_LIBS) ... </div>
<div>or</div>
<div> RP_LIBS = ..._R_LIBS_ ...</div>
<div><br>
</div>
<div>Because of this the options for multithreading mkl get used
for mpi versions. In a very simple case (bulk MgO) this made
my lapw1_mpi about 3 times slower!</div>
<div><br>
</div>
<div>b) Connected to the above, the writes at line 1759 do not
output RP_LIBS, although they are read at line 172.</div>
<div><br>
</div>
<div>N.B., I did not see where to set/change RP_LIBS, I did it
by hand.<br clear="all">
<div><br>
</div>
-- <br>
<div class="gmail_signature" data-smartmail="gmail_signature">
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<div dir="ltr"><span
style="font-size:12.8px">Professor
Laurence Marks</span><br>
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<div dir="ltr"><span
style="font-size:12.8px">"Research is to
see what everybody else has seen, and to
think what nobody else has thought", </span><span
style="font-size:12.8px">Albert
Szent-Gyorgi</span><br>
<a
href="http://www.numis.northwestern.edu"
target="_blank" moz-do-not-send="true">www.numis.northwestern.edu</a> ; <span
style="font-size:12.8px">Corrosion in
4D: </span><a
href="http://MURI4D.numis.northwestern.edu"
style="font-size:12.8px" target="_blank"
moz-do-not-send="true">MURI4D.numis.northwestern.edu</a>
<div><span style="font-size:12.8px">Partner
of the CFW 100% program for gender
equity, </span><a
href="http://www.cfw.org/100-percent"
style="font-size:12.8px"
target="_blank" moz-do-not-send="true">www.cfw.org/100-percent</a></div>
<div>Co-Editor, Acta Cryst A</div>
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</blockquote>
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