ABINIT Discussion Forums

When trying to use MPI level 3 (--with-mpi-level=3) the build crashes. The reason is quite simple, Look at shared/common/src/11_memory_mpi/m_profiling_abi.F90 There you have: #ifdef HAVE_MPI2 use mpi #endif ... #if defined HAVE_MPI1 include 'mpif.h' #endif but no where do you have HAVE_MPI3. This re...

Ok, weird.
Well, until I figure out why, I will close this issue.

Thanks for help.

Thanks Marc, I called it like this: ../../tests/runtests.py --loglevel=INFO -v -v -n 2 --pedantic atompaw etsf_io libxc wannier90 that should enable all tests right? And call them in correct order? If not I think the test API is slightly confusing My assumption was that it runs them all sequentially...

While I know that you can download PAWs, I think the intent was to ship it with build system, otherwise a test does not make sense (taking a wrong pseudo will give "erroneous" results)

1) It is usually not recommanded to have "." in the path since you may have conflict with other search directories. I agree, it was however the only way I could successfully run the tests. 2) You use the old fashion test farm which is not upgraded anymore but migrated to the new test farm...

Problem, You have abinit in your path PATH=$HOME/bin:./ and abinit in $HOME/bin. Note that the current directory path is after bin. Running make test_* will do these things: cp $(top_builddir)/src/98_main/abinit $(top_srcdir)/tests/built-in/Input/abinit && cd $(top_srcdir)/tests/built-in/Inp...

Ok. Thanks for the response!
I regard this as closed then...

Regards Nick

Dear developers, I am compiling abinit and looking at the output I found a couple of warnings (which I agree with ). Here is an outline of an example code that has a bug (starting from line 573 in 68_dmft/m_hu.F90): subroutine rotatevee_hu(cryst_struc,hu,nspinor,nsppol,pawprtvol,rot_mat,udens_atoms)...

Ok, great!

I will go that route then.

Thanks for all the help!

Here it is: configure:21913: checking whether the Fortran compiler accepts long lines configure:21928: /home/nicpa/phd/code/install/.compile/abinit-7.6.1/build-tmp/config/wrappers/wrap-mpifc -m64 -o conftest -m64 -fPIC -O3 -ftree-vectorize -fexpensive-optimizations -funroll-loops -fprefetch-loop-arr...

Dear Matteo and Jordan, So it seems like Jordan knows how to fix it? Do you need anymore information then? And yes, the error stems from compiling files in the 62_ctqmc directory, sorry about not saying the directory. It goes for all files which includes the mentioned file in my original post. The e...

I am currently trying to install Abinit 7.6.1 on my machine. 1. The first thing is a configure error for detecting netcdf. By doing: grep "call nf90" configure in the abinit folder you get this output: ncerr = call nf90_open_par(path, cmode, comm, info, ncid) which clearly is wrong. nf90_o...