This worked, thanks Paolo and Takahiro! -Miles
---Sender--- Miles Johnson Applied Physics PhD candidate, California Institute of Technology [email protected] ________________________________ From: users <[email protected]> on behalf of Takahiro Chiba <[email protected]> Sent: Sunday, September 4, 2022 1:00 AM To: Quantum ESPRESSO users Forum <[email protected]> Subject: Re: [QE-users] Quantum Espresso with LibXC Hi Miles, As Paolo pointed out, you need to use the same compiler. It seems that you intend to use Intel compiler for QE, so you need to use it when compiling libxc. The procedure should be... ##### tar -xf libxc-5.2.3.tar.gz cd libxc-5.2.3 # Need to specify explicitly! CC=icc FC=ifort ./configure --prefix=$HOME/libxc-5.2.3-static make -j | tee make.log make check make install cd ../ tar -xf q-e-qe-7.1.tar.gz cd q-e-qe-7.1/ # Specify the location of compiled libxc and QE install destination ./configure --with-libxc=yes --with-libxc-prefix=$HOME/libxc-5.2.3-static --prefix=$HOME/qe7.1 make all -j | tee make.log cd test-suite make run-tests-parallel | tee tests.log cd ../ make install ##### ---Sender--- Takahiro Chiba Master course student at CSE, Hokkaido University [email protected] ----- _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
