<div dir="ltr">Hi<div><br></div><div>The setting in the toolchain is correct. Please have a look at the instruction in $CP2K/cp2k/tools/hfx_tools/libint_tools/README_LIBINT.</div><div><br></div><div>SL</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 18 January 2016 at 16:14, Johannes Wagner <span dir="ltr"><<a href="mailto:johanne...@gmail.com" target="_blank">johanne...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">sorry to bother with the next toolchain issue: the cp2k install HOWTO on libint says <div><br></div><div><span style="color:rgb(51,51,51);font-family:Arial,sans-serif;font-size:14px">"... hardcoded to the default angular momentum LIBINT_MAX_AM 5 </span><code style="font-family:Consolas,'Andale Mono WT','Andale Mono','Bitstream Vera Sans Mono','Nimbus Mono L',Monaco,'Courier New',monospace;font-size:14px;direction:ltr;background-color:rgb(251,250,249);color:rgb(51,51,51);border-top-left-radius:2px;border-top-right-radius:2px;border-bottom-right-radius:2px;border-bottom-left-radius:2px">-D__LIBINT_MAX_AM</code><span style="color:rgb(51,51,51);font-family:Arial,sans-serif;font-size:14px"> and </span><code style="font-family:Consolas,'Andale Mono WT','Andale Mono','Bitstream Vera Sans Mono','Nimbus Mono L',Monaco,'Courier New',monospace;font-size:14px;direction:ltr;background-color:rgb(251,250,249);color:rgb(51,51,51);border-top-left-radius:2px;border-top-right-radius:2px;border-bottom-right-radius:2px;border-bottom-left-radius:2px">-D__LIBDERIV_MAX_AM1..."</code><br></div><div><br></div><div><font color="#333333" face="arial, sans-serif"><span style="font-size:14px;background-color:rgb(251,250,249)">now libint in the toolchain installer compiles with</span></font></div><div><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace"><span style="font-size:14px;background-color:rgb(251,250,249)"><br></span></font></div><div><font face="times new roman, serif">--with-libint-max-am=5 --with-libderiv-max-am1=4<font color="#333333"><span style="font-size:14px;background-color:rgb(251,250,249)"><br></span></font></font></div><div><br></div><div>but the cp2k flags are set to </div><div><br></div><div><font face="times new roman, serif">-D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5<br></font></div><div><br></div><div>which are both one up. Shall this be corrected?</div></div><span class="HOEnZb"><font color="#888888">
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