Dear Amberlings,
at first, thanks a lot helping me out with my last problem „Howto cpptraj -
multiple trajin-commands in one line“. .Jean-Marc Billod: I did it your way
and this works just fine!
Now I’ve got a little concern about the results of my installation of Amber
14. The make test-procedure at the parallel installation level (both with 2
and 4 threads) went through without a single error, even without rounding
mistakes. After that i’ve compiled Amber 14 the usual way to gather
CUDA-support. Now the make test produce some rounding errors which are okay
(I hope), but also errors where lines one of the compared files (*.diff) are
inserted and thus produce a lot of differences. If one compares the numbers
of the correctly aligned lines then everything is fine (I hope – again with
some rounding errors). To understand my problem better I attached the *log-
and the *.diff-files which are shortened to display only the unclear diffs.
Can I ignore this diffs safely? If not, may someone provide any information
handling this problem?
Thanks a lot in advance! Kind regards,
Falko Jaehnert.
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Received on Thu Feb 11 2016 - 05:00:03 PST
