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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Gavin, </div>
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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">We should not do that. </div>
<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Files like modules.f are in free format although they have the file extension .f. </div>
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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Thanks, </div>
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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Jianxin </div>
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<span style="font-weight:bold">From: </span>Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Thu, 20 Dec 2012 17:14:53 -0700<br>
<span style="font-weight:bold">To: </span>A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>Re: [Wien] Some interesting observation with "runsp_lapw -so -orb"on Mac OSX<br>
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<div class="moz-cite-prefix">One idea, have you tried without "-free"?<br>
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The default when not specified is fixed-format for .f files according to the Intel User and Reference Guides (<a class="moz-txt-link-freetext" href="http://www.nacad.ufrj.br/online/intel/Documentation/en_US/compiler_f/main_for/index.htm">http://www.nacad.ufrj.br/online/intel/Documentation/en_US/compiler_f/main_for/index.htm</a>).<br>
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On 12/20/2012 3:05 PM, Laurence Marks wrote:<br>
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<blockquote cite="mid:CANkSMZBUV7gv2sSOy0ocZEHCG9-3kDcNoN49QKMKivrort7JCw@mail.gmail.com" type="cite">
<p>I suggest adding an inquire statement to see what are the properties of the files, e.g. record length etc. this may lead nowhere but might if OSX had some unusual file defaults in fortran. Maybe also search the ifort/OSX lists for hints. I suspect a compiler/OS
bug which may have no better fix than what you have done.</p>
<div class="gmail_quote">On Dec 20, 2012 9:35 PM, "Zhu, Jianxin" <<a moz-do-not-send="true" href="mailto:jxzhu@lanl.gov">jxzhu@lanl.gov</a>> wrote:<br type="attribution">
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<div>Gavin, </div>
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<div>I did that and the problem remains. </div>
<div>So at the moment, I will stay with by adding a simple writing statement in the lapwso.f file. </div>
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<div>Thanks, </div>
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<div>Jianxin </div>
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<span style="font-weight:bold">From: </span>Gavin Abo <<a moz-do-not-send="true" href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing list for WIEN2k users <<a moz-do-not-send="true" href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Thu, 20 Dec 2012 11:54:37 -0700<br>
<span style="font-weight:bold">To: </span>A Mailing list for WIEN2k users <<a moz-do-not-send="true" href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>Re: [Wien] Some interesting observation with "runsp_lapw -so -orb"on Mac OSX<br>
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<div>Yes, FPOPT is for mpi parallel not serial.<br>
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For serial, you need for fftw3:<br>
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O Compiler options: -free -mp1 -prec-div -pc80 -pad -align -traceback -DFFTW3<br>
R R_LIB (LAPACK+BLAS): -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -L/opt/local/fftw3/lib/ -lfftw3<br>
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This requires that you download ( <a moz-do-not-send="true" href="http://fftw.org/download.html" target="_blank">
http://fftw.org/download.html</a>) and install fftw3.3.3 at /opt/local/fftw3/. Alternatively, you could use the mkl-fftw3 library. For that, refer to the Wien2k user guide "11.1.1 Installation tips for mpich and fftw (either version 2.1.5 or 3.3".<br>
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On 12/20/2012 11:41 AM, Zhu, Jianxin wrote:<br>
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<pre>Gavin,
Yes. I am using serial mode for my Mac machines.
This is what I have in the siteconfig_lapw procedure ---
....
Recommended options for system linuxif111 are:
Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
Linker Flags: $(FOPT)
-L/opt/intel/Compiler/11.1/046/mkl/lib/em64t -pthread
Preprocessor flags: '-DParallel'
R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide
Current settings:
O Compiler options: -free -mp1 -prec-div -pc80 -pad -align
-traceback
L Linker Flags: $(FOPT) -L/opt/intel/Composer/mkl/lib
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core -liomp5 -lpthread
S Save and Quit
Q Quit abandon changes
To change an item select option.
Selection:
Do you mean I have to put in -DFFTW3 explicitly?
In the OPTIONS file, I do see
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-DFFTW3
But that's for MPI running, right?
If I look at the recommended options (as copied/pasted above), there is no
-DFFTW3 there.
Maybe I haven't understand your point correctly?
Do you want me to put -DFFTW3 explicitly behind the option FOPT lineso
that it changes from
-free -mp1 -prec-div -pc80 -pad -align -traceback
to
-free -mp1 -prec-div -pc80 -pad -align -traceback -DFFTW3
?
Thanks,
Jianxin
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