Compilation error in yambo-5.0.3

[andrea.ferretti]

for completeness, here is an older post from another user
viewtopic.php?t=1891
who found a similar problem.

There the solution seems to involve using "--enable-netcdf-v3"
(which shouldn't be really used, but perhaps it is worth a try)

Andrea

[Bramhachari Khamari]

Dear Sir,
Thank you for the reply. In the link provided the problem is solved using "--enable-netcdf-v3". However comipling in this manner yambo_rt does not work as suggested by Davide sir. I am lokking to run real time simulation (yambo_rt). Any other suggestion is welcome. Just to confirm when you say netcdf-v4 wht does that mean?

i) Is it netcdf-c-4.7.4.tar.gz or netcdf-fortran-4.5.3.tar.gz
ii) Is it both
ii) how to add netcdf and hdf5 with intel in configuring yambo.

Regards,

[andrea.ferretti]

Dear Bramchari,

netcdf-v4 means the standard format of netcdf more or less since version 4.x (of netcdf), which is based on hdf5.
You don't have to specify anything at netcdf compile time.

Concerning yambo, you need both netcdf-c and netcdf-fortran. hdf5 is also a requirement to compile netcdf-c.
Below is an example of configure flags to link external netcdf, netcdff and hdf5 libs.

take care
Andrea

Code: Select all

MKLROOT=/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl

./configure \
  FC=ifort \
  CC=icc \
  --with-fft-libs="-mkl" \
  --with-blas-libs="-L$MKLROOT -lmkl_intel_lp64  -lmkl_sequential -lmkl_core " \
  --with-lapack-libs="-L$MKLROOT -lmkl_intel_lp64  -lmkl_sequential -lmkl_core " \
  --with-scalapack-libs="-L$MKLROOT -lmkl_scalapack_lp64 " \
  --with-blacs-libs="-L$MKLROOT -lmkl_blacs_intelmpi_lp64 " \
  --with-iotk-path="/opt/iotk/y1.2.2-intel" \
  --with-libxc-path="/opt/libxc/2.2.3-intel" \
  --with-hdf5-path="/opt/hdf5/1.12.0-intel" \
  --with-netcdf-path="/opt/netcdf/4.7.4-hdf5-intel" \
  --with-netcdff-path="/opt/netcdff/4.5.2-hdf5-intel" \
  --enable-open-mp \
  --enable-time-profile \
  --enable-memory-profile \
  --enable-msgs-comps