Java backend hang with phasecalculator
Having set up the following VLE calculation:
-
Install https://gitlab.developers.cam.ac.uk/ch/hunter/ssiptools/ssimpleapps/phasecalculator following the instructions.
-
Create foo.csv:
298.15 toluene 0.02 water 0.98
- Run
python -m phasecalculator inpgen --unpolarised -p foo.csv -v -j /home/mjw/workspace/ssip/ssip-phasetransfer/target/ssip-phasetransfer-6.0.1-SNAPSHOT-jar-with-dependencies.jar
- Run
python -m phasecalculator calculate -f systemcollection.xml
- Observe the java process at 100%
This actual process that is running is:
java -jar /home/mjw/workspace/ssip/ssip-phasetransfer/target/ssip-phasetransfer-6.0.1-SNAPSHOT-jar-with-dependencies.jar --phaseOut --phaseCollectionList --conccalc --gascalc --calc --phaseFile scratch/systemphase.xml -o scratch/systemphasecalculated.xml
log4j2 logging can be invoked:
java -Dlog4j.configurationFile=/home/mjw/workspace/ssip/ssip-phasetransfer/src/main/resources/log4j2.xml -jar /home/mjw/workspace/ssip/ssip-phasetransfer/target/ssip-phasetransfer-6.0.1-SNAPSHOT-jar-with-dependencies.jar --phaseOut --phaseCollectionList --conccalc --gascalc --calc --phaseFile scratch/systemphase.xml -o scratch/systemphasecalculated.xml
and the following is seen:
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[INFO ] TotalConcentrationCalculator - calculating trial concentration.
[TRACE] TotalConcentrationCalculator - PvdWFree: 0.3333136462508829
[TRACE] TotalConcentrationCalculator - PsiFree: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441}
[DEBUG] LiquidTotalConcentrationCalculator - Total phi bound: {0.9343820486; 0.9343820486; 0.9343820486; 0.9343820486; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161}
[TRACE] TotalConcentrationCalculator - PvdWFree: 0.3333136462508829
[TRACE] TotalConcentrationCalculator - PsiFree: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441}
[TRACE] LiquidTotalConcentrationCalculator - Liquid phi bound: {0.9344103977; 0.9344103977; 0.9344103977; 0.9344103977; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256} liquid concentration: {0.168825098; 0.168825098; 0.168825098; 0.168825098; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372} gas phi bound: {0.609609042; 0.609609042; 0.609609042; 0.609609042; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953} gas concentration: {0.0000147366; 0.0000147366; 0.0000147366; 0.0000147366; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919}
[TRACE] LiquidTotalConcentrationCalculator - Liquid psi f: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441} Liquid psi_f VdW: 0.3333136462508829
[INFO ] ExpansionEnergyCalculator - E_exp VdW: {4.2; 4.2; 4.2; 4.2; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462; 9.0461538462}
[INFO ] ExpansionEnergyCalculator - E_exp polar: {6.3378051521; 6.3378051521; 6.3378051521; 6.3378051521; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472; 0.5209267472}
[INFO ] ExpansionEnergyCalculator - Phi bound: {0.9343820486; 0.9343820486; 0.9343820486; 0.9343820486; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161}
[INFO ] ExpansionEnergyCalculator - E_exp total: {10.1219313613; 10.1219313613; 10.1219313613; 10.1219313613; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529}
[TRACE] TotalConcentrationCalculator - expansionEnergies: {10.1219313613; 10.1219313613; 10.1219313613; 10.1219313613; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529; 9.3993693529}
[TRACE] TotalConcentrationCalculator - zero point concs: {0.1745432146; 0.1745432146; 0.1745432146; 0.1745432146; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064; 0.0035621064}
[TRACE] TotalConcentrationCalculator - mole fractions: {0.98; 0.98; 0.98; 0.98; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02; 0.02}
[TRACE] TotalConcentrationCalculator - PvdWFree: 0.3333136462508829
[TRACE] TotalConcentrationCalculator - PsiFree: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441}
[DEBUG] LiquidTotalConcentrationCalculator - Total phi bound: {0.9343820486; 0.9343820486; 0.9343820486; 0.9343820486; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161}
[TRACE] TotalConcentrationCalculator - PvdWFree: 0.3333136462508829
[TRACE] TotalConcentrationCalculator - PsiFree: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441}
[TRACE] LiquidTotalConcentrationCalculator - Liquid phi bound: {0.9344103977; 0.9344103977; 0.9344103977; 0.9344103977; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256; 0.1207667256} liquid concentration: {0.168825098; 0.168825098; 0.168825098; 0.168825098; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372; -0.0034634372} gas phi bound: {0.609609042; 0.609609042; 0.609609042; 0.609609042; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953; 0.5143629953} gas concentration: {0.0000147366; 0.0000147366; 0.0000147366; 0.0000147366; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919; 0.0117913919}
[TRACE] LiquidTotalConcentrationCalculator - Liquid psi f: {0.043723819; 0.043723819; 0.043723819; 0.043723819; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441; 0.8389729441} Liquid psi_f VdW: 0.3333136462508829
[TRACE] TotalConcentrationCalculator - phi bound: {0.9343820486; 0.9343820486; 0.9343820486; 0.9343820486; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161; 0.678052161}
[TRACE] TotalConcentrationCalculator - -2RT(1-phi_b): {-0.3253280538; -0.3253280538; -0.3253280538; -0.3253280538; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762; -1.5961891762}
[TRACE] TotalConcentrationCalculator - -2RT(1-phi_b)/energies: {-0.0321409069; -0.0321409069; -0.0321409069; -0.0321409069; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523; -0.1698187523}
[TRACE] TotalConcentrationCalculator - right hand bracket: {0.9678590931; 0.9678590931; 0.9678590931; 0.9678590931; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477; 0.8301812477}
[DEBUG] TotalConcentrationCalculator - Trial Conc: {0.1689332374; 0.1689332374; 0.1689332374; 0.1689332374; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194; 0.002957194}
[DEBUG] TotalConcentrationCalculator -
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