### Setting up shell environment ...


### Printing basic job infos to stdout ...

START_TIME           = 2025-10-16 23:56:56
HOSTNAME             = n1701
JOB USER             = st_ac145129
JOB NAME             = spe
JOB ID               = 18850667
Submit directory     = /lustre/work/ws/ws1/st_ac145129-st_ac145129/Li-S/SPVP/Chemshell/with-N-down/doublet/5-0li-schain/st_ac145129.18847695
Number of CPUs       = 12
Number of nodes      = 1

### Creating RUN directory on local disc and changing to it ...

runDIR               = /tmp/st_ac145129.18850667
Basename of runDIR   = st_ac145129.18850667
Dirname  of runDIR   = /tmp
Tar archive name     = st_ac145129.18850667

### Loading modules and defining environment:

Loaded module        = compiler/intel/19.1 numlib/mkl/2020 chem/turbomole/7.7.1

TURBOMOLE_VERSION    = 7.7.1_tmolex20232
TURBOTMPDIR          = /tmp/st_ac145129.18850667 (/tmp/st_ac145129.18850667=/tmp/st_ac145129.18850667)
TURBOMOLE_MODE       = compute
PARA_ARCH            = SMP
PARNODES             = 12

### Copying input files for job (if required):