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Porblem with Rosetta Homology Modelling

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Porblem with Rosetta Homology Modelling
#1

I am facing SEGMENTATION FAULT error when I try to generate 10000 structures in Rosetta Homology modelling. I am running this through the Batch script. For example, when I give -out:nstruct 10000 in the flag file, it generates only 48 structures after that the job gets terminated. I have attached my batch script, flag file, Error file and the Rosettta_crash.log file here. Please, can anyone help me to find the solution to this problem? 

Flag File

-run:protocol threading 
-in:file:alignment ./aligned.aln 
-cm:aln_format general 
-frag3 ./aat000_03_05.200_v1_3.gz 
-frag9 ./aat000_09_05.200_v1_3.gz 
-in:file:fasta ./t000_.fasta # path to target fasta file
-in:file:fullatom 
-loops:frag_sizes 9 3 1 
-loops:frag_files ./aat000_09_05.200_v1_3.gz ./aat000_03_05.200_v1_3.gz none    
-in:file:psipred_ss2 ./t000_.psipred_ss2 
-in:file:fullatom 
-out:nstruct 10 
-in:file:template_pdb 4f3lb_clean.pdb 
-loops:extended 
-loops:build_initial 
-loops:remodel quick_ccd 
-loops:refine refine_ccd 
-random_grow_loops_by 4 
-select_best_loop_from 1 
-out:file:fullatom 
-out:output
-out:file:silent threaded_model.out 
-out:file:silent_struct_type binary 
-out:file:scorefile threaded_model.fasc 
-overwrite 
-database

 

Batch Script

#!/bin/sh

#SBATCH -N 1                                

#SBATCH --ntasks-per-node=48                                          

#SBATCH --job-name=Rosetta_run                

#SBATCH --error=ERROR.err            

#SBATCH --output=MYJOB.out          

#SBATCH --partition=small  

module load rosetta/3.13

cd $SLURM_SUBMIT_DIR

mpirun -np 48 minirosetta.linuxgccrelease @flags

 

Error Message

AN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.

--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 19 with PID 2843 on node cn010 exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------

 

Rosetta Crash file

I have attached this as a document in text format.
 

AttachmentSize
ROSETTA_CRASH.log3.74 KB
Post Situation: 
Wed, 2022-07-13 23:45
Karthik