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<div class="moz-cite-prefix">I don't have the same hardware. So I
cannot determine the best performance for your system.<br>
<br>
You can run your own benchmarks to determine the best
performance. The benchmark page on the WIEN2k website has a
serial or parallel benchmark that you can download [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/benchmark/">http://www.wien2k.at/reg_user/benchmark/</a> ].<br>
<br>
As guidance, the WIEN2k 14.2 usersguide [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ]
recommends ifort for the Fortran compiler:<br>
<br>
<i>For Intel (</i><i><font color="#ff0000">AMD</font></i><i>)
based systems we </i><i><font color="#000099">recommend</font></i><i>
the Intel </i><i><font color="#000099">ifort</font></i><i>
compiler and the Intel</i><i><br>
</i><i>mkl library (which includes blas, lapack and Scalapack)
(see <a class="moz-txt-link-freetext" href="http://www.intel.com">http://www.intel.com</a>).</i><br>
<br>
<i>Because of the superior performance of the Intel-mkl library we
recommend ifort/mkl instead of gfortan</i><i><br>
</i><i>(or some other commercial f90 compiler).</i><br>
<br>
For desktops/laptops (non-mpi), there is the composer edition for
Linux Fortran only (ifort/mkl). For clusters, there is the
cluster edition (ifort/mkl/intel_mpi). [
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/intel-parallel-studio-xe/try-buy">https://software.intel.com/en-us/intel-parallel-studio-xe/try-buy</a>
]<br>
<br>
For certain qualified uses, Intel has free software programs for
ifort and/or mkl (for more information, see:
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/qualify-for-free-software">https://software.intel.com/en-us/qualify-for-free-software</a> ).<br>
<br>
For the C compiler, you should be able to use icc or gcc.
However, most users likely do not find it beneficial to buy
Intel's icc and so use the free gcc, since there is almost no
difference in execution time between icc and gcc as WIEN2k does
not have much C code [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg03895.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg03895.html</a>
].<br>
<br>
On 9/18/2015 9:10 AM, Mohamed Musa wrote:<br>
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<div dir="ltr">Dear Sir <br>
<br>
I'm please to recieved the invoice for a copy of WIEN2k (your
careful attendance is really apreciated), we need to know
which fortran and c compilers do you recommend for best
performance in our case. Our workstation composed of four <font
color="#ff0000">AMD</font> Opetron 6272 cpu's mounted on
Supermicro H8QGi-F mother board with a total of 256 Gb memory.<br>
best regards <br>
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<div dir="ltr"><b><span
style="color:rgb(0,0,255)"><font
size="2"><span
style="font-family:georgia,serif">=========================================<br>
Dr. M.Musa Saad H.-E.<span
style="line-height:115%"> </span></span></font></span></b></div>
<div dir="ltr"><b><span
style="color:rgb(0,0,255)"><font
size="2"><span
style="font-family:georgia,serif"><span
style="line-height:115%">Assistant
Professor</span> at Department
of Physics</span></font></span></b></div>
<div dir="ltr"><b><span
style="color:rgb(0,0,255)"><font
size="2"><span
style="font-family:georgia,serif">College
of Science, Qassim University,
Buraidah, 51452, Saudi
Arabia</span></font></span></b></div>
<div dir="ltr"><b><span
style="color:rgb(0,0,255)"><font
size="2"><span
style="font-family:georgia,serif">Mob:
+966509353808;
Fax: +966163800911; E-mails: <a
moz-do-not-send="true"
href="mailto:141261@qu.edu.sa"
target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:141261@qu.edu.sa">141261@qu.edu.sa</a></a></span></font></span></b></div>
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