NWChem validation output:
[INFO] Validating gamess application kernel installation on ub-hpc
[INFO] ################################################################################
[INFO] Validating ub-hpc parameters from /home/akrruser/akrr/etc/resources/ub-hpc/resource.conf
[INFO] Syntax of /home/akrruser/akrr/etc/resources/ub-hpc/resource.conf is correct and all necessary parameters are present.
[INFO] Syntax of /usr/lib/python3.4/site-packages/akrr/default_conf/gamess.app.conf is correct and all necessary parameters are present.
[INFO] ################################################################################
[INFO] Validating resource accessibility. Connecting to ub-hpc.
================================================================================
[INFO] Successfully connected to ub-hpc
[INFO] Checking directory locations
[INFO] Checking: vortex:/projects/ccrstaff/general/nikolays/huey/akrr_data
[INFO] Directory exist and accessible for read/write
[INFO] Checking: vortex:/projects/ccrstaff/general/nikolays/huey/appker
[INFO] Directory exist and accessible for read/write
[INFO] Checking: vortex:/projects/ccrstaff/general/nikolays/huey/tmp
[INFO] Directory exist and accessible for read/write
[INFO]
[INFO] Checking: vortex:/tmp
[INFO] Directory exist and accessible for read/write
[INFO]
[INFO] ################################################################################
[INFO] Will send test job to queue, wait till it executed and will analyze the output
Will use AKRR REST API at https://localhost:8091/api/v1
[INFO]
Submitted test job to AKRR, task_id is 3145218
================================================================================
Tast status:
Task is in scheduled_tasks queue.
It schedule to be started on 2019-05-01T16:05:30
time: 2019-05-01 16:05:30
================================================================================
Tast status:
Task is in active_tasks queue.
Status: None
Status info:
None
time: 2019-05-01 16:05:35
================================================================================
Tast status:
Task is in active_tasks queue.
Status: Still in queue. Either waiting or running
Status info:
JOBID PARTITION NAME USER ST TIME NODES NODELIST(REASON)
11369048 general-c gamess.j nikolays PD 0:00 2 (Priority)
11368921 general-c gamess.j nikolays R 11:27 2 cpn-d16-[13-14]
time: 2019-05-01 16:05:43
================================================================================
Tast status:
Task is in active_tasks queue.
Status: Still in queue. Either waiting or running
Status info:
JOBID PARTITION NAME USER ST TIME NODES NODELIST(REASON)
11369048 general-c gamess.j nikolays R 20:10 2 cpn-d15-[13-14]
time: 2019-05-01 16:26:33
================================================================================
Tast status:
Task is in active_tasks queue.
Status: Still in queue. Either waiting or running
Status info:
JOBID PARTITION NAME USER ST TIME NODES NODELIST(REASON)
11369048 general-c gamess.j nikolays CG 20:12 2 cpn-d15-[13-14]
time: 2019-05-01 16:26:43
================================================================================
Tast status:
Task is in active_tasks queue.
Status: Task was completed successfully.
Status info:
Done
time: 2019-05-01 16:26:50
================================================================================
Tast status:
Task is completed!
status: 1
status_info: Done
time: 2019-05-01 16:26:55 [INFO] Test job is completed analyzing output
[INFO]
Test kernel execution summary:
status: 1
status_info: Done
processing message:
None
Local working directory for this task: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233
Location of some important generated files:
Batch job script: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/jobfiles/gamess.job
Application kernel output: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/jobfiles/appstdout
Batch job standard output: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/jobfiles/stdout
Batch job standard error output: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/jobfiles/stderr
XML processing results: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/result.xml
Task execution logs: /home/akrruser/akrr/log/comptasks/ub-hpc/gamess/2019.05.01.16.05.30.288233/proc/log
[INFO]
Enabling gamess on ub-hpc for execution
[INFO] Successfully enabled gamess on ub-hpc
[INFO]
DONE, you can move to next step!