
### Setting up shell environment ...


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

START_TIME               = 22-09-14 23:17:45 1663219065
HOSTNAME                 = fc102
USER                     = ugochukwu.nwosu1
SLURM_JOB_NAME           = vasp.sh
SLURM_JOB_ID             = 16062214
SLURM_SUBMIT_DIR         = /home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9
SLURM_JOB_NUM_NODES      = 1
SLURM_NTASKS             = 32
SLURM_NODELIST           = fc102
SLURM_JOB_NODELIST       = fc102
--------------- ulimit -a -S ---------------
core file size          (blocks, -c) unlimited
data seg size           (kbytes, -d) unlimited
scheduling priority             (-e) 0
file size               (blocks, -f) unlimited
pending signals                 (-i) 767976
max locked memory       (kbytes, -l) unlimited
max memory size         (kbytes, -m) 20971520
open files                      (-n) 1024
pipe size            (512 bytes, -p) 8
POSIX message queues     (bytes, -q) 819200
real-time priority              (-r) 0
stack size              (kbytes, -s) unlimited
cpu time               (seconds, -t) unlimited
max user processes              (-u) 767413
virtual memory          (kbytes, -v) unlimited
file locks                      (-x) unlimited
--------------- ulimit -a -H ---------------
core file size          (blocks, -c) unlimited
data seg size           (kbytes, -d) unlimited
scheduling priority             (-e) 0
file size               (blocks, -f) unlimited
pending signals                 (-i) 767976
max locked memory       (kbytes, -l) unlimited
max memory size         (kbytes, -m) 20971520
open files                      (-n) 131072
pipe size            (512 bytes, -p) 8
POSIX message queues     (bytes, -q) 819200
real-time priority              (-r) 0
stack size              (kbytes, -s) unlimited
cpu time               (seconds, -t) unlimited
max user processes              (-u) 767976
virtual memory          (kbytes, -v) unlimited
file locks                      (-x) unlimited
----------------------------------------------

### Loading necessary modules ...


### Creating TMP_WORK_DIR directory and changing to it ...

JOB_WORK_DIR         = 16062214
TMP_BASE_DIR         = /scratch
TMP_WORK_DIR         = /scratch/16062214

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

'/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/run.py' -> '/scratch/16062214/run.py'
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/*cif': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/POSCAR': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/coord': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/*xyz': No such file or directory
'/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/cu_tibtt_complete_relaxation.traj' -> '/scratch/16062214/cu_tibtt_complete_relaxation.traj'
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/CONTCAR': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/*.pkl': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/*xml': No such file or directory
cp: cannot stat '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/WAVECAR': No such file or directory



Running for 5h 0m and 0s.
This means 18000 seconds.
Will terminate at 17100.00s to copy back necessary files from scratch


--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
vasp: ERROR: VASP command '/global/software/openmpi/gnu-8.4.1/4.1.1/bin/mpirun -n 32 /work/siahrostami_lab/tiago/VASP/openmpi-4.1.1-mkl_vasp-5.4.4_wBEEF/bin/vasp_gam' failed with exit code '1'. (exit code 1)

real	36m56.739s
user	0m0.324s
sys	0m0.272s

Time limit not reached.


### Cleaning up files ... removing unnecessary scratch files ...

removed 'EIGENVAL'
removed 'IBZKPT'
removed 'PCDAT'
removed 'WAVECAR'
removed 'CHG'
removed 'CHGCAR'

### Compressing results and copying back result archive ...


Creating result tgz-file '/home/ugochukwu.nwosu1/2D-Cu-MOFs/Linker-Effect/MOF-calculations/autojob_calcs/gSCPifWoQb/sg3nqh3HMt/cgBSN9eKct/jHPSasmWC9/16062214.tgz' ...

16062214/
16062214/run.py
16062214/cu_tibtt_complete_relaxation.traj
16062214/POSCAR
16062214/INCAR
16062214/POTCAR
16062214/KPOINTS
16062214/ase-sort.dat
16062214/vdw_kernel.bindat
16062214/vasprun.xml
16062214/OUTCAR
16062214/CONTCAR
16062214/DOSCAR
16062214/OSZICAR
16062214/XDATCAR
16062214/REPORT
16062214/final.e

### Remove TMP_WORK_DIR ...

removed '/scratch/16062214/run.py'
removed '/scratch/16062214/cu_tibtt_complete_relaxation.traj'
removed '/scratch/16062214/POSCAR'
removed '/scratch/16062214/INCAR'
removed '/scratch/16062214/POTCAR'
removed '/scratch/16062214/KPOINTS'
removed '/scratch/16062214/ase-sort.dat'
removed '/scratch/16062214/vdw_kernel.bindat'
removed '/scratch/16062214/vasprun.xml'
removed '/scratch/16062214/OUTCAR'
removed '/scratch/16062214/CONTCAR'
removed '/scratch/16062214/DOSCAR'
removed '/scratch/16062214/OSZICAR'
removed '/scratch/16062214/XDATCAR'
removed '/scratch/16062214/REPORT'
removed '/scratch/16062214/final.e'
rm: cannot remove '/scratch/16062214': Permission denied

Extracting result tgz-file

/var/spool/slurmd/job16062214/slurm_script: line 181: ws_release: command not found
END_TIME             = 22-09-14 23:54:53 1663221293

### Exiting with exit code 0...
