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Job 187ca789-9ce3-4112-a744-36701770c921

Job Information

Name
N3CZr4
MLP
Allegro-OAM-L
Status
Failed
Worker
dt-login01.delta.ncsa.illinois.edu-377268
Created
20260623 09:35:27
Updated
20260623 15:15:58

Melting Temperature

Not available yet
The fit figure below shows the trajectory counts at each temperature and the MPFit result.
SLUSCHI Output
Download SLUSCHI.out

No SLUSCHI.out has been received yet. The job may still be queued, pending, or starting on Sol.

Error

Job lease expired while running. Marked failed and abandoned.
Submitted POSCAR 
title
1.
0.000000000 0.000000000 -9.425732000
0.000000000 -9.425732000 0.000000000
-9.425732000 0.000000000 0.000000000
N  C  Zr
24 8 32
Cartesian
-7.069299000 -2.356433000 -7.069299000    C
-7.069299000 -9.425732000 -4.712866000    C
-9.425732000 -9.425732000 -7.069299000    C
-7.069299000 -4.712866000 -9.425732000    C
-7.069299000 -7.069299000 -2.356433000    C
-4.712866000 -7.069299000 -9.425732000    C
-9.425732000 -7.069299000 -9.425732000    C
-4.712866000 -9.425732000 -2.356433000    C
-4.712866000 -4.712866000 -7.069299000    C
-4.712866000 -7.069299000 -4.712866000    C
-2.356433000 -2.356433000 -7.069299000    C
-2.356433000 -9.425732000 -4.712866000    C
-2.356433000 -4.712866000 -9.425732000    C
-2.356433000 -7.069299000 -2.356433000    C
-9.425732000 -9.425732000 -2.356433000    C
-9.425732000 -4.712866000 -7.069299000    C
-9.425732000 -7.069299000 -4.712866000    C
-7.069299000 -4.712866000 -4.712866000    C
-7.069299000 -2.356433000 -2.356433000    C
-4.712866000 -2.356433000 -4.712866000    C
-2.356433000 -4.712866000 -4.712866000    C
-2.356433000 -2.356433000 -2.356433000    C
-9.425732000 -4.712866000 -2.356433000    C
-9.425732000 -2.356433000 -4.712866000    C
-7.069299000 -7.069299000 -7.069299000    N
-7.069299000 -9.425732000 -9.425732000    N
-4.712866000 -9.425732000 -7.069299000    N
-4.712866000 -2.356433000 -9.425732000    N
-2.356433000 -9.425732000 -9.425732000    N
-2.356433000 -7.069299000 -7.069299000    N
-9.425732000 -2.356433000 -9.425732000    N
-4.712866000 -4.712866000 -2.356433000    N

Returned Output Files

submit_stderr.log 

        

      
        

          submit_stdout.log
          
19560837