[Wien] error in elastic calculation

[prasad jayasena]

Dear users

I need to calculate elastic constants of a cubic material. I tried to use the instruction given in the wien2k user guide and could create elastic, rhomb, tetra and eos directories successfully ( init_elast and elast_setup). But I am unable to run any of the other job scripts rhomb.job, tetra.job etc. 

My system is spin polarized. So This is how I tried it.




#!/bin/tcsh
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=25
#SBATCH --mem-per-cpu=30G
#SBATCH --time=00-04:00



 module load wien2k-18.2  

echo "NTASKS  = $SLURM_NTASKS"
setenv SCRATCH /scratch/CASE_1/elast



#Modify this script according to your needs


set flist = `ls rhomb_*.struct | cut -c 1-11`
cd ./rhomb
foreach i ($flist)
echo $i
cp ../$i.struct ./rhomb.struct
x_lapw dstart -p 
x_lapw dstart -up -p
x_lapw dstart -dn -p
cp ../result/$i.clmsum ./rhomb.clmsum
cp ../result/$i.clmup ./rhomb.clmup
cp ../result/$i.clmdn ./rhomb.clmdn
runsp_lapw -p -ec 0.00001 -cc 0.0001
	set stat = $status
	if ($stat) then
	    echo "ERROR status in" $i
	    exit 1
	endif
 
#echo $i >> error
#x lapw2 -p -qtl | & tee -a error
#x tetra
#mv rhomb.outputt $i.outputt
#mv rhomb.qtl $i.qtl
#mv rhomb.dos1 $i.dos1
#mv rhomb.dos1ev $i.dos1ev
save_lapw $i
mv $i.* ../result
end



The error I am getting is :

	Loading module: Wien2k - Version 18.2 - Released 17. July 2018.

NTASKS  = 32
rhomb___0.0
running dstart in single mode
DSTART - Error
**  dstart crashed!
cat: No match.
0.058u 0.060s 0:00.17 64.7%	0+0k 60832+48io 226pf+0w
error: command   /home/software/Build_WIEN2k_18.2_M01/bin/dstartpara -c dstart.def   failed
running dstart in single mode
DSTART - Error
**  dstart crashed!
cat: No match.
0.057u 0.054s 0:00.17 58.8%	0+0k 60816+40io 226pf+0w
error: command   /home/software/Build_WIEN2k_18.2_M01/bin/dstartpara -up -c updstart.def   failed
running dstart in single mode
DSTART - Error
**  dstart crashed!
cat: No match.
0.055u 0.063s 0:00.17 64.7%	0+0k 60816+40io 226pf+0w
error: command   /home/software/Build_WIEN2k_18.2_M01/bin/dstartpara -dn -c dndstart.def   failed
cp: cannot stat '../result/rhomb___0.0.clmsum': No such file or directory
cp: cannot stat '../result/rhomb___0.0.clmup': No such file or directory
cp: cannot stat '../result/rhomb___0.0.clmdn': No such file or directory
forrtl: severe (24): end-of-file during read, unit 8, file /scratch/CASE_1/elast/rhomb/rhomb.clmsum
Image              PC                Routine            Line        Source             
lapw0              0000000000497F9E  Unknown               Unknown  Unknown
lapw0              00000000004BE08D  Unknown               Unknown  Unknown
lapw0              0000000000435B8E  MAIN__                    452  lapw0.F
lapw0              0000000000409E6E  Unknown               Unknown  Unknown
libc.so.6          00002AE5ACDC02E0  Unknown               Unknown  Unknown
lapw0              0000000000409D6A  Unknown               Unknown  Unknown
grep: No match.
grep: No match.
grep: No match.
grep: No match.

>   stop error
ERROR status in rhomb___0.0





Can someone please show me the error in the script?


Thank you
Prasad