Have you used the same compiler for libxc and for QE?
Paolo
On 03/09/2022 20:51, Johnson, Miles R. wrote:
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Hi Takahiro,
I'm using libxc version 5.2.3, downloaded from this website:
https://tddft.org/programs/libxc/download/
<https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Ftddft.org%2Fprograms%2Flibxc%2Fdownload%2F&data=05%7C01%7Cpaolo.giannozzi%40uniud.it%7Cb6df6dbd81594cc3afbe08da8ddd7f47%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C637978280766037967%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=an6P2KuyFFPiaSKmAtRjbRpt8UrPJ8trKGmfIJKDaLw%3D&reserved=0>.
I've attached a picture of the file list.
Thanks!
Miles
---Sender---
Miles Johnson
Applied Physics PhD candidate, California Institute of Technology
mjohn...@caltech.edu
Libxc - a library of exchange-correlation functionals for
density-functional theory - TDDFT
<https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Ftddft.org%2Fprograms%2Flibxc%2Fdownload%2F&data=05%7C01%7Cpaolo.giannozzi%40uniud.it%7Cb6df6dbd81594cc3afbe08da8ddd7f47%7C6e6ade15296c4224ac581c8ec2fd53a8%7C0%7C0%7C637978280766037967%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=an6P2KuyFFPiaSKmAtRjbRpt8UrPJ8trKGmfIJKDaLw%3D&reserved=0>
Download Latest release. The sources for the latest stable release can
be downloaded here: libxc-5.2.3.tar.gz. Development version. You can
also get Libxc directly ...
tddft.org
------------------------------------------------------------------------
*From:* users <users-boun...@lists.quantum-espresso.org> on behalf of
Takahiro Chiba <takahiro_ch...@eis.hokudai.ac.jp>
*Sent:* Saturday, September 3, 2022 4:46 AM
*To:* Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org>
*Subject:* Re: [QE-users] Quantum Espresso with LibXC
Hi Miles,
Could you...
1. tell us which version of libxc did you use?
2. show us the list of files in /home/milesj/LIBXC? ( find
/home/milesj/LIBXC -type f )
P.S.
You should write your affiliation when you post here!
Sincerely,
Takahiro
---Sender---
Takahiro Chiba
CSE, Hokkaido University
takahiro_ch...@eis.hokudai.ac.jp <mailto:takahiro_ch...@eis.hokudai.ac.jp>
-----
On Sat, Sep 3, 2022 at 4:44 AM Johnson, Miles R. <mjohn...@caltech.edu
<mailto:mjohn...@caltech.edu>> wrote:
I posted this question on stackoverflow before finding this mailing
list:
https://stackoverflow.com/questions/73576250/error-in-quantum-espresso-configuration-with-libxc
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Essentially, I've downloaded and seemingly without error installed
libxc, and I have the most recent distribution of quantum espresso.
Without the --with-libxc flag it configures just find, but with the
flag it cannot seem to find my libxc installation no matter where I
put it. I've tried haphazardly looking through many forums and
trying various solutions, and nothing has changed anything. No
matter what I do, either it doesn't find libxc or doesn't look for
it. When I try adding flags to the make.inc file after normal
configuration like the documentation says as an alternative, make
all fails with the error pictured below. I've made zero progress for
more than a week and I really need help.
Thanks,
Miles
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Error in Quantum Espresso configuration with libxc
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