[Wien] MPI Error

[Laurence Marks]

As we have told you before, mpirun is a command on your system, it is not
part of Wien2k. Your problem is because you have something wrong in what is
defined (probably) for your PATH variable, and/or how this is exported --
my guess.

I suggest you read
http://www.linfo.org/path_env_var.html#:~:text=PATH%20is%20an%20environmental%20variable,commands%20issued%20by%20a%20user
.
https://www.javatpoint.com/linux-export-command
https://www.javatpoint.com/linux-tutorial

Reading is the best way to solve your problems. When you understand more
you will be able to fix things.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu

On Sat, May 29, 2021, 01:40 leila mollabashi <le.mollabashi at gmail.com>
wrote:

> Dear all wien2k users,
> Following the previous comment referring me to the admin, I contacted the
> cluster admin. By the comment of the admin, I recompiled Wien2k
> successfully using the cluster modules.
> >Once the blacs problem has been fixed,
> For example, is the following correct?
> libmkl_blacs_openmpi_lp64.so =>
> /opt/exp_soft/local/generic/intel/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.so
> (0x00002b21efe03000)
> >the next step is to run lapw0 in
> sequential and parallel mode.
> >Add:
> x lapw0     and check the case.output0 and case.scf0 files (copy them to
> a different name) as well as the message from the queuing system. ...
> The “x lapw0” and “mpirun -np 4 $WIENROOT/lapw0_mpi lapw0.def” are
> interactively executed correctly.
> The “x lapw0 -p” is also correctly executed using the following
> “.machines” file:
> lapw0:e0017:4
> >The same thing could be made with lapw1
> The “x lapw1” and “mpirun -np 4 $WIENROOT/lapw1_mpi lapw1.def” are also
> correctly executed interactively with no problem. But “x lapw1 -p” stops
> when I use the following “.machines” file:
> 1:e0017:2
> 1:e0017:2
> bash: mpirun: command not found
> The output files are gathered into https://files.fm/u/7cssehdck
> <https://urldefense.com/v3/__https://files.fm/u/7cssehdck__;!!Dq0X2DkFhyF93HkjWTBQKhk!DY9I6JWTfzchGcD3bwfOzQXYKhnMtGZVk9gW78R6bqSdK8w4fbV3r2XU2DLPFp8mZk2E7g$>.
>
> Would you, please, help me to fix the parallel problem too?
> Sincerely yours,
> Leila
>
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