Dear Aziz,
this is probably an issue due to the switching from single precision (default for most of the yambo executables) to double precision (needed by yambo_nl and ypp_nl) at compilation time.
I suppose, from the log folder, that all the executables were compiled, with the exception of yambo_nl and ypp_nl.
1) First, if you do not need to perform non linear optics simulations, then you are fine.
You can just use the executables that you find in the bin folder.
2) Instead, if you need to perform non linear optics simuilations you have 2 options:
With option 2.a you will have the standard executables in single precision, which uses less memory, but which maybe also subject to rounding errors
With option 2.b you wull have all the executables compiled in double precision.
2.a) A workaround.
From the source folder just run
2.b) Recompile everything in double precision (I also added an option to store the external libraries in a separate folder)
Code: Select all
make distclean
./configure --prefix=/opt/ohpc/pub/apps/yambo/5.1.1 --enable-dp --with-extlibs-path=/opt/ohpc/pub/apps/yambo/ext-libs
make all -j
Best,
D.