Dear developers and users,
I am trying to install Yambo with external libxc. During the installation I encountered
"[libxc-5.2.3] download libxc-5.2.3.tar.gz", and the downloading hung there forever. I checked the libxc downloading webpage as it is not working. So I installed libxc7.0.
After I compiled with " ./configure CC=icx MPICC=mpiicx MPIFC=mpiifort MPIF77=mpiifort FC=ifort F77=ifort --enable-open-mp --enable-par-linalg --with-scalapack-libs=mkl --with-blacs-libs=mkl --enable-slepc-linalg --with-petsc-path="${INSTALL_DIR}" --with-slepc-path="${INSTALL_DIR}" --with-extlibs-path=/home/cl414/.local/lib --with-libxc-libdir=/home/cl414/.local/lib --with-libxc-includedir=/home/cl414/.local/include" the installation kept downloading libxc5.2.3.gz forever.
Can someone give me tips to work around this?
Many thanks advance.
Best reagrds,
Rundong
compile Yambo 5.2.4 with external libxc
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani
Forum rules
If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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rundong
- Posts: 6
- Joined: Mon Dec 23, 2024 12:27 pm
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rundong
- Posts: 6
- Joined: Mon Dec 23, 2024 12:27 pm
Re: compile Yambo 5.2.4 with external libxc
Dear all,
Sorry to for forgetting to mention that
We are using oneapi2024.02
Intel Dual 8059cl
Parallel compilation
Cannot use external libxc7.0.0
Sorry to for forgetting to mention that
We are using oneapi2024.02
Intel Dual 8059cl
Parallel compilation
Cannot use external libxc7.0.0
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Nicola Spallanzani
- Posts: 93
- Joined: Thu Nov 21, 2019 10:15 am
Re: compile Yambo 5.2.4 with external libxc
Dear Rundong,
please sign your post with your name and affiliation, this is a rule of the forum. You can do this once for all by filling the signature in the user profile.
It seems that Yambo is not compatible with libxc v7.0.0, which triggers a request to download version 5.2.3. Please try installing libxc version 5.x or 6.x and linking it using the appropriate configuration flag.
Otherwise, download the tarball version 5.2.3 from here: https://gitlab.com/libxc/libxc/-/releases
and place it in this directory of the yambo sources: lib/archive
Best regards,
Nicola
please sign your post with your name and affiliation, this is a rule of the forum. You can do this once for all by filling the signature in the user profile.
It seems that Yambo is not compatible with libxc v7.0.0, which triggers a request to download version 5.2.3. Please try installing libxc version 5.x or 6.x and linking it using the appropriate configuration flag.
Otherwise, download the tarball version 5.2.3 from here: https://gitlab.com/libxc/libxc/-/releases
and place it in this directory of the yambo sources: lib/archive
Best regards,
Nicola
Nicola Spallanzani, PhD
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu
S3 Centre, Istituto Nanoscienze CNR and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu
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rundong
- Posts: 6
- Joined: Mon Dec 23, 2024 12:27 pm
Re: compile Yambo 5.2.4 with external libxc
Dear Nicola,
I did add signature in the profile as you suggested.
Thanks for the detailed instruction and it worked because in the configuration process the libxc library can be recognized.
But a new problem appeared: the devicexlib-0.8.5 site is down and the file cannot be downloaded. It seems that people are just enjoying holiday season.
I am wondering if you have devicexlib-0.8.5 at hand and share it with me? Sorry for possible inconvenience.
I wish you merry holidays.
Best regards,
Rundong
I did add signature in the profile as you suggested.
Thanks for the detailed instruction and it worked because in the configuration process the libxc library can be recognized.
But a new problem appeared: the devicexlib-0.8.5 site is down and the file cannot be downloaded. It seems that people are just enjoying holiday season.
I am wondering if you have devicexlib-0.8.5 at hand and share it with me? Sorry for possible inconvenience.
I wish you merry holidays.
Best regards,
Rundong
Last edited by rundong on Wed Dec 25, 2024 7:25 am, edited 1 time in total.
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rundong
- Posts: 6
- Joined: Mon Dec 23, 2024 12:27 pm
Re: compile Yambo 5.2.4 with external libxc
Dear Nicola,
Never mind. I found the files after reading your post again.
Even though I added devicexlib-0.8.5.tar.gz to the lib/archive folder, during the installation, it keeps downloading the file.
How should I do with it?
Really appreciate your help.
Best Regards,
Rundong
Never mind. I found the files after reading your post again.
Even though I added devicexlib-0.8.5.tar.gz to the lib/archive folder, during the installation, it keeps downloading the file.
How should I do with it?
Really appreciate your help.
Best Regards,
Rundong