Error in compilation of yambo-4.5.3

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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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Bramhachari Khamari
Posts: 96
Joined: Wed Oct 23, 2019 5:52 am

Error in compilation of yambo-4.5.3

Post by Bramhachari Khamari » Mon Jan 04, 2021 1:26 pm

Dear Developer,

I am trying to do parallal installation of yambo-4.5.3 . I followed the procedure.

i) Inside the archive folder, I put tar files such as fftw-3.3.6-pl1.tar.gz, iotk-y1.2.2.tar.gz, lapack-3.6.1.tar.gz, libxc-2.2.3.tar.gz, netcdf-c-4.7.4.tar.gz, netcdf-fortran-4.5.2.tar.gz.

ii) options for configure- ./configure --enable-dp CC=icc FC=ifort PFC=mpiifort F77=ifort F90=ifort --with-blas-libs=libmkl_blas95_lp64.a --with-lapack-libs=libmkl_lapack95_lp64.a --with-scalapack-libs=libmkl_scalapack_lp64.a

iii) make all

However, the compilation is unsuccessful with the error mentioned below

ifort error #10236: File not found 'yambo-4.5.3/lib/external/intel/mpiifort/lib/liblapack.a
ifort error #10236: File not found 'yambo-4.5.3/lib/external/intel/mpiifort/lib/libblas.a
ifort error #10236: File not found 'yambo-4.5.3/lib/external/intel/mpiifort/lib/libfftw3.a

Any help will be appreciated.
Regards,
Bramhachari Khamari
Bramhachari Khamari
Post Doctoral Fellow
Department of Physics
IIT Kanpur, India.

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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Error in compilation of yambo-4.5.3

Post by Daniele Varsano » Mon Jan 04, 2021 5:11 pm

Dear Bramhachari Khamari,
step 1 it is not needed.
you can just configure without specifying the
-with-blas-libs=--with-lapack-libs= --with-scalapack-libs= options.

yambo will download and compile the needed libraries.

if you do not want to use internal libraries that are eventually detected by the configure, you can add the option
--enable-int-linalg
if you want parallel linear algebra support (scalapack) you can use:
--enable-par-linalg

you can have a full list of options by typing
./configure -h

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Bramhachari Khamari
Posts: 96
Joined: Wed Oct 23, 2019 5:52 am

Re: Error in compilation of yambo-4.5.3

Post by Bramhachari Khamari » Wed Jan 06, 2021 8:45 am

Dear Sir,
Thank you for the reply.

Regards,
Bramhachari Khamari
Bramhachari Khamari
Post Doctoral Fellow
Department of Physics
IIT Kanpur, India.

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