<div dir="ltr">Hi<div><br></div><div>You need to make a small change in the arch file:</div><div><br></div><div>

<pre class="gmail-aLF-aPX-K0-aPE" style="display:block;font-family:"Courier New",Courier,monospace,arial,sans-serif;margin:0px;white-space:pre-wrap;word-wrap:break-word;background-color:rgb(255,255,255);color:rgb(0,0,0);font-size:14px;text-align:left;text-decoration-style:initial;text-decoration-color:initial">LIBS  =  -L${LIBXC}/lib -lxcf90 -lxc</pre>

<br></div><div>-></div><div><br></div><div>

<pre class="gmail-aLF-aPX-K0-aPE" style="display:block;font-family:"Courier New",Courier,monospace,arial,sans-serif;margin:0px;white-space:pre-wrap;word-wrap:break-word;background-color:rgb(255,255,255);color:rgb(0,0,0);font-size:14px;text-align:left;text-decoration-style:initial;text-decoration-color:initial">LIBS  =  -L${LIBXC}/lib -lxcf03 -lxc</pre><pre class="gmail-aLF-aPX-K0-aPE" style="display:block;font-family:"Courier New",Courier,monospace,arial,sans-serif;margin:0px;white-space:pre-wrap;word-wrap:break-word;background-color:rgb(255,255,255);color:rgb(0,0,0);font-size:14px;text-align:left;text-decoration-style:initial;text-decoration-color:initial"><br></pre><pre class="gmail-aLF-aPX-K0-aPE" style="display:block;font-family:"Courier New",Courier,monospace,arial,sans-serif;margin:0px;white-space:pre-wrap;word-wrap:break-word;background-color:rgb(255,255,255);color:rgb(0,0,0);font-size:14px;text-align:left;text-decoration-style:initial;text-decoration-color:initial">SL</pre>

<br></div></div><br><div class="gmail_quote"><div dir="ltr">On Wed, 27 Jun 2018 at 11:54, Chris <<a href="mailto:chrisch...@gmail.com">chrisch...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">Hello all,</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">I am trying to compile &
install CP2K v6.1 on a cluster, and I get the following error messages:</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">/global/cscratch1/sd/chapmanc/cp2k_data_hopefully/cp2k-6.1/lib/cori-intel/popt/libcp2kxc.a(xc_libxc.o):
In function `xc_libxc_mp_libxc_lda_info_':</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">/global/cscratch1/sd/chapmanc/cp2k_data_hopefully/cp2k-6.1/src/xc/xc_libxc.F:133:
undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">/global/cscratch1/sd/chapmanc/cp2k_data_hopefully/cp2k-6.1/src/xc/xc_libxc.F:134:
undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">/global/cscratch1/sd/chapmanc/cp2k_data_hopefully/cp2k-6.1/src/xc/xc_libxc.F:138:
undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_name_'</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">(it continues on for 115 lines,
but they all say more or less the same). I believe this has something to do
with how I call the LIBXC library in the arch script, but I can’t quite figure
out where the error is. I used the arch script that was previously used to compile
& install CP2K (v4.1) on this cluster (specifically, the CORI cluster at
NERSC) as a starting point (attached as arch_old.txt, which used LIBXC v3.0). I
figured that I had to make some changes to the arch script (attached as
arch_new.txt) since there were changes starting with LIBXC v4.0, but I
apparently did not make the correct changes. Does anyone know if the error is
in my arch script, or if it is in how I setup my LIBXC library, or something
else?</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">Thank you,</span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif"> </span></p>

<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt"><span style="font-family:"Century Schoolbook",serif">Chris</span></p>

</div>

<p></p>

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