ReactionMechanismGenerator / RMG-Java

The Java version of RMG: Reaction Mechanism Generator
http://rmg.sourceforge.net/
MIT License
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IndexOutOfBoundsException at jing.rxnSys.RateBasedPDepRME.makeSpeciesIncluded(RateBasedPDepRME.java:369) #134

Open rwest opened 13 years ago

rwest commented 13 years ago

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

rwest commented 13 years ago

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}
rwest commented 13 years ago

n.b. This job that failed had been read in from a restart. I'm trying another now.

rwest commented 13 years ago

The restarted attempt failed by another means - see issue #138.