Hello all,
I am calculating positron lifetime of CsI compound with a one vacancy.
Calculation is not running in HPC cluster with showing error of Segmentation fault.
Also it is showing error like backtrace, can anyone please tell me how to add flag of backtrace to compile abinit.
Here is my attached input file, error, log…
The script .sh file is here…
#!/bin/bash
#SBATCH -N 1 # Number of nodes
#SBATCH --ntasks-per-node=48 # Number of cores per
#SBATCH --error=job.%J.err # Name of output file
#SBATCH --output=job.%J.out # Name of error file
#SBATCH --time=96:00:00 # Time take to execute the
#SBATCH --job-name=“csi4”
#SBATCH --partition=standard
export OMP_NUM_THREADS=1
export OMP_PROC_BIND=false
export OMP_STACKSIZE=600M
ulimit -s unlimited
time mpirun -ppn 48 -np 48 abinit csi_4.abi > csi_4.log
csi_4.abi (5.7 KB)
csi_4.log (64.6 KB)
err.txt (25.0 KB)
Thank you in advance!