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Job bfd9a75f-e9b5-48ea-9865-296237fef563

Job Information

Name
C3NZr4
MLP
Allegro-OAM-L
Status
Running
Worker
sc009-3350505
Created
20260623 09:34:51
Updated
20260623 20:49:30

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.

Submitted POSCAR 
title
1.
0.000000000 0.000000000 -9.425732000
0.000000000 -9.425732000 0.000000000
-9.425732000 0.000000000 0.000000000
C  N  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

slurm.56906942.out 
SLUSCHI_MLP=Allegro-OAM-L
SLUSCHI_CONDA_ENV=chgnet
Tue Jun 23 09:39:31 2026       
+-----------------------------------------------------------------------------------------+
| NVIDIA-SMI 595.71.05              Driver Version: 595.71.05      CUDA Version: 13.2     |
+-----------------------------------------+------------------------+----------------------+
| GPU  Name                 Persistence-M | Bus-Id          Disp.A | Volatile Uncorr. ECC |
| Fan  Temp   Perf          Pwr:Usage/Cap |           Memory-Usage | GPU-Util  Compute M. |
|                                         |                        |               MIG M. |
|=========================================+========================+======================|
|   0  NVIDIA A100-SXM4-80GB          On  |   00000000:C1:00.0 Off |                    0 |
| N/A   31C    P0             62W /  500W |       0MiB /  81920MiB |      0%      Default |
|                                         |                        |             Disabled |
+-----------------------------------------+------------------------+----------------------+

+-----------------------------------------------------------------------------------------+
| Processes:                                                                              |
|  GPU   GI   CI              PID   Type   Process name                        GPU Memory |
|        ID   ID                                                               Usage      |
|=========================================================================================|
|  No running processes found                                                             |
+-----------------------------------------------------------------------------------------+
SLUSCHI_MLP=Allegro-OAM-L
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/POSCAR
POSCAR
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/POSCAR_C24N8Zr32
POSCAR_C24N8Zr32
<re.Match object; span=(0, 16), match='POSCAR_C24N8Zr32'>
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/job.json
job.json
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/jobsub_gpu_sol
jobsub_gpu_sol
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/slurm.56906942.err
slurm.56906942.err
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/slurm.56906942.out
slurm.56906942.out
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/submit_stderr.log
submit_stderr.log
None
/data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/submit_stdout.log
submit_stdout.log
None
Preparing /data/qhong7/qhong7/sluschi_auto/bfd9a75f-e9b5-48ea-9865-296237fef563/C24N8Zr32 from POSCAR_C24N8Zr32
Selected MLP: Allegro-OAM-L
launch_sluschi.py finished. Monitoring FlagStop.out...
submit_stderr.log 
sbatch: Default cpus_per_task applied: 1
sbatch: Default min_mem_per_node applied for GPU: 24000 MB
submit_stdout.log 
56906942