RMG-Java
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IndexOutOfBoundsException at jing.rxnSys.RateBasedPDepRME.makeSpeciesIncluded(RateBasedPDepRME.java:369)
The job ran for a while and then:
Generating pressure dependent network for SPC(14687): 1,2-Birad_to_alkene Generating pressure dependent network for SPC(14687): Alkene_to_1,2-birad Memory used: 1611268096 Free memory: 391583256 After garbage collection: Memory used: 1611399168 Free memory: 946912192 Here's the # of networks: 19127 Exception in thread "main" java.lang.IndexOutOfBoundsException: Index: 0, Size: 0 at java.util.LinkedList.entry(LinkedList.java:382) at java.util.LinkedList.get(LinkedList.java:332) at jing.rxnSys.RateBasedPDepRME.makeSpeciesIncluded(RateBasedPDepRME.java:369) at jing.rxnSys.RateBasedPDepRME.enlargeReactionModel(RateBasedPDepRME.java:238) at jing.rxnSys.ReactionModelGenerator.enlargeReactionModel(ReactionModelGenerator.java:3977) at jing.rxnSys.ReactionModelGenerator.modelGeneration(ReactionModelGenerator.java:1452) at RMG.main(RMG.java:57)
The git repository was on the branch:
master
And at the commit with the hash:
5ad0fa99f926ef962a274a6d74b35a5c31e41af6
To see changes since then visit:
http://github.com/GreenGroup/RMG-Java/compare/5ad0fa...master
In case it matters:
C2HO6J(14687) 1 C 0 {4,S} {6,S} {5,S} {8,S} 2 C 0 {3,D} {4,S} {7,S} 3 O 0 {2,D} 4 O 0 {1,S} {2,S} 5 H 0 {1,S} 6 O 0 {1,S} {7,S} 7 O 0 {6,S} {2,S} 8 O 0 {9,S} {1,S} 9 O 1 {8,S}
n.b. This job that failed had been read in from a restart. I'm trying another now.
The restarted attempt failed by another means - see issue #138.