Bugs item #1651770, was opened at 2007-02-04 16:43 Message generated for change (Comment added) made by nicove You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1651770&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File Input/Output Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nicolas (nicove) Assigned to: Bob Hanson (hansonr) Summary: v11.0: NWChem and Psi3 readers problem Initial Comment: When trying to run the JUnit tests for v11.0, I see several problems for reading some files (there's also a problem with Gamess reader, but it's also visible in v11.1 and I reported it as a separate bug) : checkFile (nwchem/H2O_1_nw5.nwo): type error -- null checkFile (nwchem/H2O_2_nw5.nwo): type error -- null checkFile (nwchem/H2O_nw5b.nwo): type error -- null checkFile (psi3/psi-h2o.out): type error -- null Nico ---------------------------------------------------------------------- >Comment By: Nicolas (nicove) Date: 2007-02-05 18:58 Message: Logged In: YES user_id=1096197 Originator: YES Strange René, I have still one JUnit error for H2O_nw5b.nwo (others are fixed) and I can't open it from Jmol 11.0. Nico ---------------------------------------------------------------------- Comment By: Rene Kanters (rkanters) Date: 2007-02-05 14:18 Message: Logged In: YES user_id=905185 Originator: NO Peculiar, I have now JUnit errors for nwchem and I can open the listed files without a problem. Was the nwchem issue fixed? I recall that Bob made some modifications in the Resolver that dealt with nwchem (I obviously hadn't fixed the appropriately, even though the fix I uploaded a little while back for nwchem 5 was working for me....) ---------------------------------------------------------------------- Comment By: Nicolas (nicove) Date: 2007-02-05 06:33 Message: Logged In: YES user_id=1096197 Originator: YES Error: [D:\DevTools\Jmol\Jmol-datafiles\nwchem\H2O_nw5b.nwo] Could not read file - java.lang.ArrayIndexOutOfBoundsException - 1 org.jmol.adapter.smarter.NWChemReader - 238 - readAtoms org.jmol.adapter.smarter.NWChemReader - 100 - readAtomSetCollection org.jmol.adapter.smarter.Resolver - 70 - resolve org.jmol.adapter.smarter.SmarterJmolAdapter - 67 - openBufferedReader org.jmol.adapter.smarter.SmarterJmolAdapter - 60 - openBufferedReader ---------------------------------------------------------------------- Comment By: Nicolas (nicove) Date: 2007-02-04 20:06 Message: Logged In: YES user_id=1096197 Originator: YES Ok for psi3, I am removing the test for v11.0 For NWChem, there's still: checkFile (nwchem/H2O_nw5b.nwo) :Could not read file:java.lang.ArrayIndexOutOfBoundsException: 1 for file H2O_nw5b.nwo of type nwchem ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2007-02-04 19:52 Message: Logged In: YES user_id=1082841 Originator: NO I recommend no change in relation to psi3 -- this file format was not supported in 11.0. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1651770&group_id=23629 ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
