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.
