On Apr 4, 2018, at 12:58 PM, Quentin Faure <quentin...@hotmail.fr> wrote:
> 
> Sorry, I did not see my autocorrect changed some word.
> 
> I added the -l and it did not change anything. Also the mpicxx —showme does 
> not work. It says that the option —showme does not exist

If 'mpicxx --showme' (with 2 dashes) does not work, then you are not using Open 
MPI's mpicxx.  You should check to make sure you are testing what you think you 
are testing.

Note, too, that Nathan was pointing out a missing capital "i" (as in "include") 
not a missing capital "l" (as in "link").  Depending on the font in your mail 
client, it can be difficult to tell the two apart.

He is correct that what you showed was not an *error* -- it was a warning that 
the C++ compiler was telling you that it ignored an argument on the command 
line.  Specifically, you did:

>>>> mpicxx -g -O3  -DLAMMPS_GZIP -DLMP_USER_INTEL -DLMP_MPIIO  
>>>> /usr/lib/openmpi/include -pthread -DFFT_FFTW3 -DFFT_SINGLE   
>>>> -I../../lib/molfile   -c ../create_atoms.cpp

But you missed the -I (capital I, as in indigo, not capital L, as in Llama).  
It should have been:

>>>> mpicxx -g -O3  -DLAMMPS_GZIP -DLMP_USER_INTEL -DLMP_MPIIO -I 
>>>> /usr/lib/openmpi/include -pthread -DFFT_FFTW3 -DFFT_SINGLE   
>>>> -I../../lib/molfile   -c ../create_atoms.cpp

That being said, you shouldn't need to mention /usr/lib/openmpi/include at all 
(even with the -I), because mpicxx will automatically insert that for you.  
Specifically: mpicxx is not a compiler itself -- it's just a "wrapper" around 
the underlying C++ compiler.  All mpicxx does is add some additional command 
line arguments and then invoke the underlying C++ compiler.  When you run 
"mpicxx --showme" (with Open MPI's mpicxx command), it will show you the 
underlying C++ compiler command that it would have invoked.

Similarly, the "ompi_info: error while loading shared libraries: libmpi.so.40: 
cannot open shared object file: No such file or directory" error means that you 
do not have Open MPI's libmpi at the front of your searchable library path.  
See https://www.open-mpi.org/faq/?category=running#adding-ompi-to-path.

-- 
Jeff Squyres
jsquy...@cisco.com

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