| 10:07:26 AM PDT - Thu, Nov 2nd 2017 |
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Hi all,
I am having quite a lot of difficulty trying to modify one of the basis sets on the BSE webpage. I want to modify the MINIS-BSIP1 basis set/ECP combination because the O pseudo is wrong (what should be a p-block is currently an s-block). In step 2, I select "modify/correct basis set", then fill the name, format, file, and all the other fields. When I click "next" the website becomes stuck, and after a while it times out with this error message:
Horrible Exception: java.lang.reflect.InvocationTargetException at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method) at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:39) at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:25) at java.lang.reflect.Method.invoke(Method.java:324) at org.apache.turbine.util.velocity.VelocityActionEvent.executeEvents(VelocityActionEvent.java:166) at
[... snip ...]
org.apache.jk.common.SocketConnection.runIt(ChannelSocket.java:866) at org.apache.tomcat.util.threads.ThreadPool$ControlRunnable.run(ThreadPool.java:683) at java.lang.Thread.run(Thread.java:534) Caused by: java.lang.OutOfMemoryError
This has been happening for the past few months. I just need to change the oxygen in MINIS-BSIP from what it currently is to:
ECP
O nelec 0
O ul
2 0.0800000000 -0.0034102133
2 0.1000000000 0.0063209487
2 1.0000000000 -0.7013079751
2 2.0000000000 0.6566723539
O S
O P
2 0.2600000000 0.0653162389
END
Thanks!
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