[Wien] Reg: k-point parallel submission of script to the HPC

shwetha gummula shwetha.gummula at gmail.com
Tue Mar 6 10:27:20 CET 2012


Dear P.Blaha and Wien2k Users,

          We are using WIEN2k 11.1 on Red Hat 5.6 version in our HPC. We
have Intel 10 version Fortran compiler in our machine. We are trying to
submit the job using the PBS  Script file for k-point parallelization. When
we submitting the job using qsub case.sh, it is giving the job ID but in
the status it is not showing any job ID (when we give the command qstat).
It is creating the machine file but it is not showing any error in the
error file and output file (it is not creating any other files). I just
want to know whether the job is running or not, or whether it is problem
with my script file?
But when I submit with the command mode on the terminal like : giving run_lapw
-ec 0.00001 it is working and creating other files.
Please, Can any one help to solve this problem.
Here I'm attaching the script file.
                         Thanking You


G.Shwetha
shwetha.gummula at gmail.com
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