InformaticsMatters / fragnet

Fragment network tooling
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Morgan fingerprints cause crash #47

Open tdudgeon opened 2 years ago

tdudgeon commented 2 years ago

Running:

curl "$FRAGNET_SERVER/fragnet-search/rest/v2/search/neighbourhood/OC(Cn1ccnn1)C1CC1?hac=3&rac=1&hops=2&calcs=SIM_MORGAN2_TANIMOTO"

Causes a crash.

fragnet-search_1  | 22-Dec-2021 10:52:51.756 INFO [http-nio-8080-exec-4] org.squonk.fragnet.service.v2.FragnetSearchRouteBuilder.executeNeighbourhoodQuery Running 1 calculations
fragnet-search_1  | [thread 114 also had an error][thread 119 also had an error][thread 226 also had an error]
fragnet-search_1  | 
fragnet-search_1  | 
fragnet-search_1  | [thread 118 also had an error]
fragnet-search_1  | [thread 225 also had an error][thread 222 also had an error][thread 117 also had an error][thread 113 also had an error]
fragnet-search_1  | 
fragnet-search_1  | 
fragnet-search_1  | 
fragnet-search_1  | #
fragnet-search_1  | [thread 220 also had an error]# A fatal error has been detected by the Java Runtime Environment:
fragnet-search_1  | 
fragnet-search_1  | #
fragnet-search_1  | #  SIGSEGV (0xb) at pc=0x00007f1b0dc728c1, pid=1, tid=224
fragnet-search_1  | #
fragnet-search_1  | # JRE version: OpenJDK Runtime Environment (11.0.9.1+1) (build 11.0.9.1+1-post-Debian-1deb10u2)
fragnet-search_1  | # Java VM: OpenJDK 64-Bit Server VM (11.0.9.1+1-post-Debian-1deb10u2, mixed mode, sharing, tiered, compressed oops, g1 gc, linux-amd64)
fragnet-search_1  | # Problematic frame:
fragnet-search_1  | # C  [libc.so.6+0x15c8c1][thread 221 also had an error]
fragnet-search_1  | [thread 213 also had an error]
fragnet-search_1  | [thread 233 also had an error]
fragnet-search_1  | 
fragnet-search_1  | #
fragnet-search_1  | # Core dump will be written. Default location: Core dumps may be processed with "/usr/share/apport/apport %p %s %c %d %P %E" (or dumping to /usr/local/tomcat/core.1)
fragnet-search_1  | #
fragnet-search_1  | [thread 212 also had an error]
fragnet-search_1  | # An error report file with more information is saved as:
fragnet-search_1  | # /tmp/hs_err_pid1.log
fragnet-search_1  | [thread 234 also had an error]
fragnet-search_1  | #
fragnet-search_1  | # If you would like to submit a bug report, please visit:
fragnet-search_1  | #   https://bugs.debian.org/openjdk-11
fragnet-search_1  | # The crash happened outside the Java Virtual Machine in native code.
fragnet-search_1  | # See problematic frame for where to report the bug.
fragnet-search_1  | #
fragnet-search_1  | 
fragnet-search_1  | [error occurred during error reporting (), id 0xb, SIGSEGV (0xb) at pc=0x00007f1b0db38611]
fragnet-search_1  | 
fragnet_fragnet-search_1 exited with code 127

This did not happen with older versions of RDKit, but it might be a problem with the environment (container).

I created a simple minimal servlet to illustrate this and the crash doesn't happen.