Discussion:
[Wien] Error while running SCF with k-point parallelization
Abhijit B K
2018-11-13 18:23:15 UTC
Permalink
Dear WIEN2k users,

I was trying to run SCF with k-point parallelization.
My "*.machines" *file contains only
granularity:1
1:gorina1
lapw0:gorina1:32
dstart:gorina1:1
lapw1:gorina1:8
#####################################################
# TESTPARA #
#####################################################
Test: LAPW1 in parallel mode (using .machines)
Granularity set to 1
Extrafine unset
weights: 1 lapw1 lapw2
sumw: 1
k-points: 47
@: Expression Syntax.
Then I use "*run_lapw -p*".
LAPW0 END
[1] Done mpirun -np 32 -machinefile .machine0
/nfs/student/abhijit/software/wien2k/lapw0_mpi lapw0.def >> .time00
@: Expression Syntax.
grep: *scf1*: No such file or directory
stop error
The "@: Expression Syntax." looks like an error in processing one of the
involved csh-script. The current version of tcsh in my system is "tcsh
6.20.00 (Astron) 2016-11-24".
To me it looks like an error in the script. However, I do not know what
needs to be fixed.

Best wishes,

Abhijit

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