QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Wisam1222 on January 8, 2021, 17:54
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Hi
I am a new user to Quantum ATK, I have a problem when doing some phonon calculations:
Master : Handling exception in delegator process.
Traceback (most recent call last):
File "zipdir\NL\ComputerScienceUtilities\ParallelTools\DynamicTaskScheduler.py", line 411, in __runInParallelModeAsDelegator
File "zipdir\NL\ComputerScienceUtilities\Workflow\Workflow.py", line 1217, in schedulerCode
File "zipdir\NL\ComputerScienceUtilities\ParallelTools\DynamicTaskScheduler.py", line 1146, in waitAnyIdleWorker
File "zipdir\NL\ComputerScienceUtilities\ParallelTools\DynamicTaskScheduler.py", line 780, in waitAnyTaskFinished
File "zipdir\NL\ComputerScienceUtilities\ParallelTools\DynamicTaskScheduler.py", line 1051, in __processTask
TaskExecutionError: An exception was raised while executing task "0c719980517f11eb8f91d89d67f4572f".
Traceback (most recent call last):
File "zipdir\NL\ComputerScienceUtilities\ParallelTools\DynamicTaskScheduler.py", line 1275, in __startParallelExecutionOnWorkerProcesses
File "zipdir\NL\ComputerScienceUtilities\Workflow\Workflow.py", line 963, in _runTask
File "zipdir\NL\ComputerScienceUtilities\Workflow\Workflow.py", line 589, in run
File "zipdir\NL\Study\DynamicalMatrixTasks.py", line 110, in _execute
File "zipdir\NL\Calculators\DensityFunctionalTheory\LCAOCalculator\Analysis\FastEnergyForcesStress.py", line 45, in forcesFunction
File "zipdir\NL\Calculators\DensityFunctionalTheory\LCAOCalculator\Analysis\FastEnergyForcesStress.py", line 71, in _checkAndUpdate
File "zipdir\NL\Calculators\DensityFunctionalTheory\LCAOCalculator\Analysis\FastEnergyForcesStress.py", line 99, in _update
File "zipdir\NL\CommonConcepts\Configurations\AtomicConfiguration.py", line 1766, in update
File "zipdir\NL\Calculators\Interfaces\BulkCalculatorInterface.py", line 150, in _update
File "zipdir\NL\Calculators\Interfaces\BulkCalculatorInterface.py", line 203, in _performUpdate
File "zipdir\NL\Calculators\DensityFunctionalTheory\LCAOCalculator\LCAOCalculator.py", line 1489, in scfLoop
File "zipdir\NL\Calculators\DensityFunctionalTheory\LCAOCalculator\SCFLoop.py", line 330, in scfLoopHamiltonian
File "zipdir\NL\ComputerScienceUtilities\Flowchart.py", line 671, in execute
File "zipdir\NL\ComputerScienceUtilities\Flowchart.py", line 663, in executeBlock
File "zipdir\NL\Calculators\Blocks\DensityMatrix.py", line 93, in execute
File "zipdir\NL\ComputerScienceUtilities\Timer.py", line 68, in __call__
File "zipdir\NL\Calculators\Blocks\DensityMatrix.py", line 92, in <lambda>
File "zipdir\NLEngine.py", line 1575, in solve
MemoryError: Unable to allocate the required storage. This is probably caused by insufficient available memory.
Note that the RAM is 48 GB
Please guide me to solve this problem.
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What is the QuantumATK version you are using? It would be helpful to see your script and log file, and know how you run this job, 48 Gb is it for a node or core (MPI process)?