/global/homes/n/nwinner/.conda/envs/matsci/lib/python3.6/site-packages/pymatgen/io/cif.py:37: UserWarning: Please install optional dependency pybtex if youwant to extract references from CIF files.
warnings.warn("Please install optional dependency pybtex if you"
{ 'actions': None,
'errors': [ 'Walltime '
'reached'],
'handler': <custodian.vasp.handlers.WalltimeHandler object at 0x2aaacaa29208>}
vasp_std: no process found
Unrecoverable error for handler: <custodian.vasp.handlers.WalltimeHandler object at 0x2aaacaa29208>
/global/homes/n/nwinner/.conda/envs/matsci/lib/python3.6/site-packages/pymatgen/core/lattice.py:1094: RuntimeWarning: divide by zero encountered in sqrt
return np.sqrt(d2)
/global/homes/n/nwinner/.conda/envs/matsci/lib/python3.6/site-packages/pymatgen/core/lattice.py:1094: RuntimeWarning: invalid value encountered in sqrt
return np.sqrt(d2)
#!/bin/bash -l
#SBATCH --nodes=4
#SBATCH --time=48:00:00
#SBATCH --partition=regular
#SBATCH --account=m1090
#SBATCH --job-name=FW_job
#SBATCH --output=FW_job-%j.out
#SBATCH --error=FW_job-%j.error
#SBATCH --constraint=knl
module load python/3.6-anaconda-4.4
source activate matsci
module load vasp/20170629-knl
export OMP_PROC_BIND=true
export OMP_PLACES=threads
export OMP_NUM_THREADS=4
cd /global/cscratch1/sd/nwinner/flibe/solutes/Cr/0
rlaunch -c /global/u1/n/nwinner/config/atomate rapidfire
# CommonAdapter (SLURM) completed writing Template
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PROFILE, used timers: 236