renamed config files to uc1, added config files for fh2 (slurm)

demos/6_advanced/config/fworker_fh2_turbomole.yaml

+name: fh2
+category: [turbomole]
+query: '{}'

demos/6_advanced/config/fworker_fh2_vasp.yaml

+name: fh2
+category: [vasp]
+query: '{}'

demos/6_advanced/config/qadapter_fh2_turbomole.yaml

+_fw_name: CommonAdapter
+_fw_q_type: SLURM
+rocket_launch: rlaunch -w /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/fworker_turbomole.yaml -l /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/launchpad.yaml rapidfire --nlaunches 1
+nodes: 1
+ntasks: 20
+walltime: '00:30:00'
+queue: normal
+account: null
+job_name: null
+pre_rocket: export PARA_ARCH=MPI; module purge; module load anaconda3 chem/turbomole; export PYTHONPATH=/home/kit/scc/jk7683/grk2450-fireworks-tutorial/lib:$PYTHONPATH
+post_rocket: null

demos/6_advanced/config/qadapter_fh2_vasp.yaml

+_fw_name: CommonAdapter
+_fw_q_type: SLURM
+rocket_launch: rlaunch -w /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/fworker_vasp.yaml -l /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/launchpad.yaml rapidfire --nlaunches 1
+nodes: 1
+ntasks: 20
+walltime: '00:30:00'
+queue: normal
+account: null
+job_name: null
+pre_rocket: module purge; module load anaconda3 chem/vasp; export VASP_COMMAND="$DO_PARALLEL $VASPMPI"; export ASE_VASP_VDW=$VASP_HOME/bin; export PYTHONPATH=/home/kit/scc/jk7683/grk2450-fireworks-tutorial/lib:$PYTHONPATH
+post_rocket: null

demos/6_advanced/config/qadapter_turbomole.yaml → demos/6_advanced/config/qadapter_uc1_turbomole.yaml

@@ -3,7 +3,7 @@ _fw_q_type: MOAB
 rocket_launch: rlaunch -w /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/fworker_turbomole.yaml -l /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/launchpad.yaml rapidfire --nlaunches 1
 nodes: 1
 ppn: 1
-walltime: '4:00:00'
+walltime: '00:30:00'
 queue: singlenode
 account: null
 job_name: null

demos/6_advanced/config/qadapter_vasp.yaml → demos/6_advanced/config/qadapter_uc1_vasp.yaml

@@ -3,7 +3,7 @@ _fw_q_type: MOAB
 rocket_launch: rlaunch -w /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/fworker_vasp.yaml -l /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/launchpad.yaml rapidfire --nlaunches 1
 nodes: 1
 ppn: 1
-walltime: '4:00:00'
+walltime: '00:30:00'
 queue: singlenode
 account: null
 job_name: null