[Wien] error in running .machines file

[venkatesh chandragiri]

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
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