[Q-e-developers] building qe with yambo
Alin Marin Elena
alinm.elena at gmail.com
Wed Sep 24 17:02:35 CEST 2014
I am trying to build qe with yambo support (I pull from svn just to be
the summary for yambo bit is
# [VER] 3.4.1 r.3187
# [SYS] linux at x86_64
# [SRC] /ichec/home/staff/alin/playground/qe-rev11200/YAMBO
# [BIN] /ichec/home/staff/alin/playground/qe-rev11200/YAMBO/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
# [ ] Double precision
# [X] Redundant compilation
# [ ] MPI
# [ ] OpenMP
# [X] PW (5.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/HDF5/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
nnow I build with intel compilers and mkl... so I would expect at least few
of the things to be found... like scalapack blas/lapack fft...
Before I get my hands dirty and fix it any advice against?
Also, any reason why mpi and openmp are not enabled (enabled them both for
pw and company)
Without Questions there are no Answers!
Dr. Alin Marin ELENA
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