KKRASA (GREENS) installation at NSC


Directory list:

VersionDescription
bgfm BGFM in KKRASA (GREENS)
bstr BGFM in KKRASA (GREENS)
lsgf LSGF in KKRASA (GREENS)
spcm spcm in KKRASA (GREENS)

Level of support

Tier 2 NSC has only limited experience with this software, but we will try to help as much as possible. We have ran some tests, for example, if the program comes with a test suite, but they may be far from exhaustive. We will try to install and test new versions, as soon as we can.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

The KKRASA (GREENS) installations are generally maintained by Weine Olovsson (weiol@nsc.liu.se). It is a suite of programs using the Green’s function formalism.

For (production) use of the code the authors should be contacted [Link]

The main programs are

bgfm
bstr
spcm
lsgf

For further information see readme files .doc in the respective program folders.

A batch script for running e.g. bgfm may look like this:

#!/bin/bash
#SBATCH -A SNIC-xxx-yyy
#SBATCH -J jobname
#SBATCH -N 1
#SBATCH -t 6:00:00

cd /home/username/workdir1
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input1.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input2.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input3.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input4.dat > out.log 2>&1 &

cd /home/username/workdir2
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input5.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input6.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input7.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input8.dat > out.log 2>&1 &

cd /home/username/workdir3
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input9.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input10.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input11.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input12.dat > out.log 2>&1 &

cd /home/username/workdir4
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input13.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input14.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input15.dat > out.log 2>&1 &
/software/apps/kkrasa/bgfm/source/bgfm.1.exe < input16.dat > out.log 2>&1 &

wait

In this example 16 serial bgfm jobs are submitted to a single triolith node (which has 16 cores). (Note that you should edit the jobname and the account number before submitting.)