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Thread: WU failure: Non-valid values generated from rrespa.

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pvh513
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WU failure: Non-valid values generated from rrespa.

Today I had my first failed WU. Result name is FAH2_ avx38780-ls_ 000006_ 0005_ 001_ 1--. The error message is as follows

... snip ...
[09:03:02] INFO: Checkpointed. Progress 42000 of 100000 steps complete CPU time 31751.940000
%IMPACT-E: Non-valid values generated from rrespa. This is probably
because of bad initial geometry. Please run minimization process for
some steps before running MD

</stderr_txt>

This is the linux executable under openSUSE 13.2.

[Oct 9, 2015 7:28:17 AM]

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