[Wien] error in running .machines file

[Laurence Marks]

You will need to talk more to your sysadmin (maybe show this email).

The simple one is the line
*31 mpirun: Command not found.*

This means what it says -- mpirun is not in your PATH and/or some other
command is needed. This is being set in $WIENROOT/mpirun.

The other one
*32 setrlimit(): WARNING: Cannot raise stack limit, continuing: Invalid
argument*

is not so simple, and perhaps your sysadmin can contact the list (or me)
directly. This may not matter (it is only a warning), although it would be
good to cure. How to cure it depends upon how setrlimit has been
implemented on your system, which nobody can tell you except your admin.

On Thu, Jun 28, 2018 at 5:23 PM, venkatesh chandragiri <
venkyphysicsiitm at gmail.com> wrote:

> Dear Wien2k users,
>
> I have forwarded the suggestions given by Prof. Gavin as well as Prof.
> Marks to the cluster administrator and now it seems that those earlier
> errors was rectified. However, there are still more errors coming out when
> I am submitting my job into SLURM based queuing process and still lapw0
> runs successfully but lapw1 crashes.
>
>
> ==========error=========================
> ==========uplapw1.error========
>   1**  Error in Parallel LAPW1
>   2 **  LAPW1 STOPPED at Thu Jun 28 09:20:58 CST 2018
>   3 **  check ERROR FILES!
>   4  'INILPW' - can't open unit:  18
>
>   5  'INILPW' -        filename: MnSb2.vspup
>
>   6  'INILPW' -          status: old          form: formatted
>
>   7  'LAPW1' - INILPW aborted unsuccessfully.
> =========================================
>
> ============output============
> *30 begin time is Thu Jun 28 09:20:50 CST 2018*
> * 31 mpirun: Command not found.*
> * 32 setrlimit(): WARNING: Cannot raise stack limit, continuing: Invalid
> argument*
> * 33 LAPW1 - Error*
> * 34 setrlimit(): WARNING: Cannot raise stack limit, continuing: Invalid
> argument*
> * 35 LAPW1 - Error*
> * 36 setrlimit(): WARNING: Cannot raise stack limit, continuing: Invalid
> argument*
> * 37 LAPW1 - Error*
>
> ===========================
>
> ============jobscript ======
>
> After the #SBATCH commands and bash script for .machines
>
> the commands for runsp_lapw is given below
>
> 109 wien2k=`runsp_lapw -NI -i 200 -ec 0.00001 -cc 0.0001 -p`
> 110 #yhrun -N 1 -p  sz-renwei -n 24 $wien2k
> 111 #srun $wien2k
> 112 mpirun -n 24 -ppn 24 runsp_lapw -NI -i 200 -ec 0.00001 -cc 0.0001 -p
> 113 #mpirun -np 24 $wien2k
>
> ==========================
>
> we tried to run different set of commands for runsp_lapw. All leads to the
> same error as speified in the output
>
> ==============================
> [renwei at ln3%th2 ~]$ which mpirun
> /usr/local/mpi3/bin/mpirun
> [renwei at ln3%th2 ~]$ whereis mpirun
> mpirun: /opt/mpich/bin/mpirun
> =============================
>
> Is there somthing I am missing to include in mpirun command for SLURM
> queuing system.
>
> please help to find out where the problem is
>
> thank you
>
> with best regards
>
> venkatesh
>
>
>
>


-- 
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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