[Wien] Issues with parallel runs

[Laurence Marks]

Most probably you forgot to export your PATH (e.g. from bash do "export
PATH") so the information is not making it beyond your shell. You might
have a bad csh/tcsh. Try adding "which lapw1_mpi" to
$WIENROOT/parallel_options, and check that file has correct setenv for
WIEN_MPIRUN.

On Thu, Jan 10, 2019 at 12:00 PM Matthew D Redell <mredell1 at binghamton.edu>
wrote:

> Hello,
>
> I am running WIEN2k_2018.2 on CentOs7 and have come across the following
> problem that I cannot seem to resolve.
>
> After successfully initializing the calculation and setting up the
> .machines for a single host (local workstation), I run: run_lapw -p
>
> lapw0 ends fine, but the lapw1 returns
> bash: mpirun: command not found
>
> The same error occurs if I just try
> x lapw1 -p
>
> However, which mpirun
> returns
> /opt/intel/compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin/mpirun
>
> I also did a little troubleshooting to see if I could run lapw1 in
> parallel via
>
> mpirun -n 4 lapw1_mpi lapw1_1.def
>
>
> which ran without any issues. Also, checking more…
> grep MPIRUN $WIENROOT/WIEN2k_OPTIONS
> returns
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
> So, the only possibility I am able to deduce is that either the run_lapw
> script or the lapw1para script is not locating the mpirun command, but I do
> not know how to begin sorting out this issue. Any help would be greatly
> appreciated.
>
> Best,
> Matt
>
> ------------------------
> Matthew D Redell
> *Graduate Student/Teaching Assistant*
> *Department of Physics, Applied Physics, and Astronomy*
> *Binghamton University-State University of New York*
> E-mail: mredell1 at binghamton.edu <mredell1 at binghamton.edu>
> Office: SN-2011D
>
>
>
>
>
>
>

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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