On Fri, Jul 5, 2013 at 12:06 AM, Muthukumaran R <kumaran.bicpu.edu.in>wrote:
> Amber users,
>
> I am installing Amber 11 and Ambertools 1.5 first time on Intel Xeon
> workstation working on CentOS6.3 (64 bit), While applying Amber11 patches
> for the bug fixes 1-23, I meet with errors shown below.
>
> Reversed (or previously applied) patch detected! Skipping patch.
> 1 out of 1 hunk ignored -- saving rejects to file
> src/sander/short_ene.f.rej
> patching file src/pmemd/src/cuda/gpu.cpp
> Hunk #1 FAILED at 442.
> Hunk #2 FAILED at 3033.
> Hunk #3 FAILED at 3068.
> Hunk #4 FAILED at 3859.
>
This part is worrying. If you plan on using the GPU functionality in Amber
11, this may cause problems. Otherwise, it can probably be safely ignored.
If you do want to use the GPU functionality, I would suggest upgrading to
Amber 12, since Amber 11 is really no longer supported for GPU stuff
anymore.
>
> the log file is attached with this mail for the convenience
>
> but while patching AmberTools (bugfixes 1-28) didn't encounter any errors.
>
> Ignoring these errors while patching, then I continued the amber
> installation. While testing amber with "make tests", 15 of them failed of
> which most of them were sander pbsa associated files.
>
These are expected, I think, depending on which ones failed. The
AT15_Amber11.py script has a list of tests that are expected to fail at the
very end.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 05 2013 - 18:30:02 PDT
