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<p>Previously, you wrote:<br>
</p>
<p>
<blockquote type="cite">site configuring is done.</blockquote>
</p>
<p>I assume compilation already went well and that no error messages
were given after "Compile time errors (if any) were" [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06000.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06000.html</a>
,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17271.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17271.html</a>
]. If so, no need to recompile. Else, you need to check the
compile.msg file(s) for the errors [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06001.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06001.html</a>
].<br>
</p>
<p><br>
<blockquote type="cite"> But after user configuring, w2web page is
not loading.</blockquote>
</p>
<p>You mentioned that only this is the problem, but reported nothing
additional on it. So, nobody can help you.<br>
</p>
<p><br>
<blockquote type="cite"> I have found an empty .bashrc file.</blockquote>
</p>
<p>The .bashrc file usually should not be empty. Did you view it in
the wrong directory (e.g., using "cat .bashrc" instead of "cat
~/.bashrc")? I guess "userconfig" ran successfully or did it
fail?<br>
</p>
<p><br>
<blockquote type="cite"> At last, I have deleted "w2web.users" and
have set new id and password. Still I am having problem to open
w2web. However on a laptop wien2k17.1 is working fine.</blockquote>
</p>
<p>It sounds like you were able to run w2web and setup the id and
password just fine. Is an incorrect hostname (IP address) or
firewall causing the problem then?<br>
</p>
<p>On 7/12/2018 9:05 AM, Peter Blaha wrote:<br>
</p>
<p>
<blockquote type="cite">
Differences between ifort2015 and 2018: certainly the -openmp
is no longer supported. We have replaced it by Intels
recommendation for multithreading (<font color="#ff9900">-liomp5
-lpthread -lm -ldl</font>) and use it also in mpi-compilation.
</blockquote>
You have those options below, so that should be fine. The openmp
should give the serial calculations some parallelization. The
"intel openmpi" is only need for mpi parallelization.<br>
</p>
<div class="moz-cite-prefix">On 11/13/2018 2:22 AM, Subhasis Panda
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAG7KuRX7KRia_LKOaNwy-DRK0YnV2R6eGe1W7xCmHyApz9igCw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear Gavin,
<div>
<div>I have intel openmpi in my PC but am not doing
parallelization. The following are the compiler
options..once the compilation is done should I again
recompile it?? <br>
</div>
<div><br>
</div>
<div dir="ltr"> ***********************************************************************<br>
* Specify compiler and linker
options *<br>
***********************************************************************<br>
<br>
Since intel changes the name of the mkl-libraries from
version to version,<br>
you may find the linking options for the most recent ifort
version at<br>
<a
href="http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/"
target="_blank" moz-do-not-send="true">http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/</a><br>
<br>
Recommended options for system linuxifc are:<br>
Compiler options: -O1 -FR -mp1 -w -prec_div
-pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
-I$(MKLROOT)/include<br>
Linker Flags: $(FOPT)
-L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) <font color="#ff9900">-lpthread
-lm -ldl -liomp5</font><br>
Preprocessor flags: '-DParallel'<br>
R_LIB (LAPACK+BLAS): -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core<br>
<br>
Current settings:<br>
O Compiler options: -O1 -FR -mp1 -w -prec_div
-pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
-I$(MKLROOT)/include<br>
L Linker Flags: $(FOPT)
-L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm -ldl
-liomp5<br>
P Preprocessor flags '-DParallel'<br>
R R_LIBS (LAPACK+BLAS): -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core<br>
X LIBX options:<br>
LIBXC-LIBS:<br>
<br>
PO Parallel options<br>
<br>
S Save and Quit<br>
Q Quit and abandon changes<br>
<br>
To change an item select option.<br>
<br>
Selection: <br>
</div>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAG7KuRX7KRia_LKOaNwy-DRK0YnV2R6eGe1W7xCmHyApz9igCw@mail.gmail.com"></blockquote>
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