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Configure Error Could Not Find Required Libxc Library

Otherwise, no idea what's going on. But >>> somehow i am unable to link to the libxc library. Octopus 4.2.0 will support libxc version 2.2.x also. Step 4: Configure the Octopus-4.1.2 # ./configure --prefix=/usr/local/octopus-4.1.2  \ --with-libxc-prefix=/usr/local/libxc-2.0.0 \ --with-libxc-include=/usr/local/libxc-2.0.0/include \ --with-gsl-prefix=/usr/local/gsl-1.14 \ --with-blas=/usr/lib64/libblas.so.3.2.1 --with-arpack=/usr/lib64/libarpack.so.2 \ --with-fft-include=/usr/local/fftw-3.3.3-single\include \ --enable-mpi # make -j 8 # make install Like this:Like have a peek here

Changed 3 years ago by [email protected]… Attachment Portfile.2​ added comment:3 follow-up: ↓ 4 Changed 3 years ago by [email protected]… This release is now live. Note that for now, octopus is not able to use these functionals. 2008-08-25 09:19 marques * [r4510] src/gga_c_lm.c, src/lda_c_hl.c: *) added von Barth and Hedin LDA *) Now langreth & Mehl Everything that is in my libxc.a is above, so if this is where I'm checking for "symbols" than you probably have a better idea of what I'm missing. This is again a fit, this time by Adamson, Gill, and Pople. 2007-10-17 12:03 marques * [r3371] COPYING, src/functionals.c, src/get_funcs.pl, src/gga.c, src/gga_c_lyp.c, src/gga_c_p86.c, src/gga_c_pbe.c, src/gga_c_pw91.c, src/gga_x_b86.c, src/gga_x_b86_mgc.c, src/gga_x_b88.c, src/gga_x_dk87.c, src/gga_x_ft97.c, src/gga_x_g96.c, More hints

These are the files within my libxc.a: special_functions.o bessel.o expint_e1.o integrate.o util.o mix_func.o functionals.o version.o lda.o lda_x.o lda_x_1d.o lda_x_2d.o lda_c_wigner.o lda_c_gombas.o lda_c_rpa.o lda_c_hl.o lda_c_vwn.o lda_c_pz.o lda_c_pw.o lda_c_ml1.o lda_c_rc04.o lda_xc_teter93.o lda_c_1d_csc.o lda_c_1d_loos.o Thank you for your work. URL: more from the [email protected] mailing list … 2012‒03‒30 07:58 Jeff Hammond [Octopus-users] Error: Symbol 'xc_lca_omc' at (1) has no IMPLICIT type 2012‒04‒03 06:12 Yuqing Xia [Octopus-users] Octopus-users Digest, P.S.

Downloading from there would be better too because it would avoid an HTTP redirect. The energy is working and giving the right results. The configure info you put doesn't give very >> much information. Last edited by Sefid par; 05-10-2015 at 11:11 AM.

Howere,when is install octopus-4.1.2,using the command "./configure --prefix=`pwd` CC=gcc FC=gfortran FCCPP="/lib/cpp -ansi" FCFLAGS=-O3 CFLAGS=-O3 --with-libxc-prefix=/home/laser/tryOctopus --enable-newuoa", "/home/laser/tryOctopus" is the path where I put libxc directory(the libxc-2.2.0 package was extracted and generated Abdul Kalam. ******** _______________________________________________ Octopus-users mailing list Octopus-users at tddft.org http://www.tddft.org/mailman/listinfo/octopus-users -------------- next part -------------- An HTML attachment was scrubbed... Also let me know what other information you would like from me to get this problem solved for the future. I used the opportunity to fix the strcasestr definition that was quite broken. 2009-03-09 10:16 marques * [r5064] src/lda_c_pz.c: Now Perdew-Zunger has analitic 3rd derivatives.

The variable is defined as integer(SIZEOF_VOIDP), but we should fix it. * Removed the check for the non standard type 'long long' as a candidate for equivalence fortran integer, in theory You seem to have CSS turned off. Like this, in order to add a functional we do not have to touch any other part of the code. If you would like to refer to this comment somewhere else in this project, copy and paste the following link: Markus - 2013-10-28 Hi Alex, I've compiled virtually all released elk

They are: XC_HYB_GGA_XC_B97, XC_HYB_GGA_XC_B97_1, XC_HYB_GGA_XC_B97_2, XC_HYB_GGA_XC_B97_K, and XC_HYB_GGA_XC_B97_3 2008-11-25 10:35 marques * [r4788] src/work_gga_becke.c: Forgot this file... 2008-11-25 10:31 marques * [r4787] src/Makefile.am, src/gga_xc_b97.c, src/gga_xc_hcth.c, src/test.c: Rewrote the B97 class of Now it also includes fxc and some mroe elements of this family. Now, $(srcdir) and $(top_builddir) are passed to the get_funcs.pl script. Both are giving the same errors.

This works in tddft.org, let's see the others now. 2010-02-26 15:42 marques * [r6324] configure.ac, src/Makefile.am: Let's see if this fixes the compilations issues. navigate here In the function "perdew_params" in the file "gga_perdew.c" the total gradient "pt->gdmt" /* get gdmt = |nabla n| */ pt->gdmt = sigma[0]; if(pt->nspin == XC_POLARIZED) pt->gdmt += 2.0*sigma[1] + sigma[2]; can Did you run the libxc tests after compiling it? There is now a new module xc_ks_inversion_m that contains most of the inversion code.

Regards Markus If you would like to refer to this comment somewhere else in this project, copy and paste the following link: Alex - 2013-10-30 I'm not too sure I'm following All Rights Reserved. Password Slackware This Forum is for the discussion of Slackware Linux. Check This Out The keywords are: for the "pure" GGAs XC_GGA_XC_SB98_1a, XC_GGA_XC_SB98_1b, XC_GGA_XC_SB98_1c, XC_GGA_XC_SB98_2a, XC_GGA_XC_SB98_2b, XC_GGA_XC_SB98_2c to be used as a hybrid XC_HYB_GGA_XC_SB98_1a, XC_HYB_GGA_XC_SB98_1b, XC_HYB_GGA_XC_SB98_1c XC_HYB_GGA_XC_SB98_2a, XC_HYB_GGA_XC_SB98_2b, XC_HYB_GGA_XC_SB98_2c 2008-11-28 15:40 marques * [r4803] TODO,

Or is there a specific example you would suggest I use to test? Board index The team • Delete all board cookies • All times are UTC + 1 hour [ DST ] Powered by phpBB Forum Software © phpBB Group Register Lost Password This only applies to active_variants 1.0 and has been fixed in active_variants 1.1.

I think the problem is in the use of "+=" to define variables in automake, and in the resulting ordering of the compilation (the file xc_funcs.h is not created before it

If you'd like to contribute content, let us know. This should fix the livecheck and checksum issues. Due to that, the values of the hyperpolarizability test changed slightly (4th digit) 2009-03-09 09:11 marques * [r5063] src/lda.c, src/lda_c_rpa.c, src/lda_c_wigner.c, src/lda_xc_teter93.c, src/test.c, src/util.h, src/work_lda.c: *) Added support for the calculation Anyway we should find a better way to deal with this situation. 2010-03-25 08:15 appel * [r6389] src/libxc_master.F90: Adding KS inversion as a new family of functionals in a spirit similar

However, I would consider this functional highly experimental ;) 2008-09-17 10:02 marques * [r4528] src/mgga_x_lta.c, src/mgga_x_tpss.c, src/test.c, src/work_mgga_x.c: I believe that now the exchange in TPSS is working. By joining our community you will have the ability to post topics, receive our newsletter, use the advanced search, subscribe to threads and access many other special features. Elk and libxc are always fine. this contact form Now xc-consistency also calculates the finite difference fxc to test against analitical values.

Note that registered members see fewer ads, and ContentLink is completely disabled once you log in. However, there are a number of fails I get, but according to their website "This is not something to worry about." So I'm not sure how to know if these are Did you get the libxc.a file from the your_libxc_root/src/.libs directory? This functional is still not functional *) Added the LDA correlation in 1D of Casula for a soft-Coulomb interaction *) Corrected the segmentation fault found by Fulvio 2009-08-24 18:50 dstrubbe *

no (-I/usr/include -lxc) configure: error: Could not find required libxc library. config.log​ (72.4 KB) - added by [email protected]… 3 years ago. Skrybedpost by [email protected]… to the [email protected] mailing list on 2012‒04‒02 “[Octopus-users] linking libxc with octopus-4.0.1” As always, when you have a problem with configure (for any software), you should look at the Copyright © 2011 Apple Inc.

A few tests will fail if you use GSL 1.15 or later. This is what my fftw-3 @3.3.3_1+gcc46 gives me; does yours differ? $ port contents fftw-3 Port fftw-3 contains: /opt/local/bin/fftw-wisdom /opt/local/bin/fftw-wisdom-to-conf /opt/local/include/fftw3.f /opt/local/include/fftw3.f03 /opt/local/include/fftw3.h /opt/local/include/fftw3l.f03 /opt/local/include/fftw3q.f03 /opt/local/lib/libfftw3.3.dylib /opt/local/lib/libfftw3.a /opt/local/lib/libfftw3.dylib /opt/local/lib/libfftw3.la /opt/local/lib/libfftw3_threads.3.dylib /opt/local/lib/libfftw3_threads.a