<div dir="ltr">Ah, probably I see the problem: you are using libint2. It is not supported in CP2K (see https://groups.google.com/forum/#!searchin/cp2k/libint2/cp2k/4KqSmjRSnMo/NuA9my2kCQAJ).<div>See INSTALL file in CP2K on how to install libint 1.</div><div><br></div><div>Hope it solves your problem.</div><div><br></div><div>Alfio</div><div><br>Il giorno mercoledì 13 gennaio 2016 18:18:53 UTC+1, Michael Agiorgousis ha scritto:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hey Alfio,<br><br>Thanks for your response!!!!!<br><br>In my libint/include directory there is nore libintderiv file. The only files present are libint2.a and <a href="http://libint2.la" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Flibint2.la\46sa\75D\46sntz\0751\46usg\75AFQjCNE-wN56JJAMcxG3a6iUUWDgchbAvA';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Flibint2.la\46sa\75D\46sntz\0751\46usg\75AFQjCNE-wN56JJAMcxG3a6iUUWDgchbAvA';return true;">libint2.la</a>.<br><br>Looking into what went wrong with the libint compilation now to not produce the libderiv file.<br><br>On Tuesday, January 12, 2016 at 5:03:25 PM UTC-5, Michael Agiorgousis wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hello All,<br><br>I have noticed that my cp2k installations are not as fast as they can be when compared with pre-compiled executables. When attempting to compile with libint I receive the error<br><br>/home/agiorm/cp2k-3.0/lib/<wbr>Linux-x86-64-intel-host/popt/<wbr>libcp2kmain.a(hfx_libint_<wbr>wrapper.o): In function `hfx_libint_wrapper_mp_<wbr>terminate_libint_':<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x11): undefined reference to `free_libint'<br>/home/agiorm/cp2k-3.0/lib/<wbr>Linux-x86-64-intel-host/popt/<wbr>libcp2kmain.a(hfx_libint_<wbr>wrapper.o): In function `hfx_libint_wrapper_mp_<wbr>terminate_libderiv_':<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x21): undefined reference to `free_libderiv'<br>/home/agiorm/cp2k-3.0/lib/<wbr>Linux-x86-64-intel-host/popt/<wbr>libcp2kmain.a(hfx_libint_<wbr>wrapper.o): In function `hfx_libint_wrapper_mp_<wbr>initialize_libderiv_':<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x574)<wbr>: undefined reference to `init_libderiv_base'<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x58c)<wbr>: undefined reference to `libderiv1_storage_required'<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x5cd)<wbr>: undefined reference to `init_libderiv1'<br>/home/agiorm/cp2k-3.0/lib/<wbr>Linux-x86-64-intel-host/popt/<wbr>libcp2kmain.a(hfx_libint_<wbr>wrapper.o): In function `hfx_libint_wrapper_mp_<wbr>initialize_libint_':<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x629)<wbr>: undefined reference to `init_libint_base'<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x63f)<wbr>: undefined reference to `libint_storage_required'<br>/home/agiorm/cp2k-3.0/src/hfx_<wbr>libint_wrapper.F:(.text+0x67e)<wbr>: undefined reference to `init_libint'<br><br><br>I am compiling cp2k version 3.0 and I am using the Linux-x86-intel-host.popt arch file. I have edited the compiler options to use CXX=mpicxx, CC=mpicc, FC=mpif90, LD=mpif90.<br>My libint root directory was manually set as /home/agiorm/libint and I have added -I$(LIBINTROOT) to the cpp flags.<br><br>Has anyone had this issue before? I have had numerous difficulties compiling cp2k with libint/libxc/etc....<br><br>Thanks!!!<br><br></div></blockquote></div></blockquote></div></div>