OK, I did this now in a 'fresh' (ish) AMBERHOME tree, and bugfix.20 passed
without problems.
However, after compiling pmemd.cuda_SPDP, I still have the same problem I
had before with using CHAMBER prmtop and NPT in simulation... I will post
details in the original thread.
Many thanks, and sorry about the previous email,
Marc
On 20 December 2011 09:09, Marc van der Kamp <marcvanderkamp.gmail.com>wrote:
> Hi!
> I noticed that bugfix.20 is posted now! Great.
> When I applied it, I got some failures. Are these serious?
>
> $ patch -p0 -N < bugfix.20
> patching file src/pmemd/src/cuda/cuda_info.fpp
> patching file src/pmemd/src/cuda/gpu.cpp
> Hunk #1 FAILED at 442.
> Hunk #2 FAILED at 3070.
> Hunk #3 succeeded at 6772 (offset -2 lines).
> 2 out of 3 hunks FAILED -- saving rejects to file
> src/pmemd/src/cuda/gpu.cpp.rej
> patching file src/pmemd/src/cuda/gputypes.h
> Hunk #1 succeeded at 204 with fuzz 2.
> patching file src/pmemd/src/cuda/kBNL.h
> Hunk #1 FAILED at 37.
> Hunk #2 succeeded at 219 (offset -9 lines).
> Hunk #4 succeeded at 279 (offset -9 lines).
> Hunk #6 succeeded at 301 (offset -9 lines).
> Hunk #7 succeeded at 419 (offset -18 lines).
> Hunk #8 succeeded at 469 (offset -21 lines).
> Hunk #9 succeeded at 493 (offset -18 lines).
> Hunk #10 succeeded at 515 (offset -21 lines).
> Hunk #11 succeeded at 547 (offset -18 lines).
> Hunk #12 succeeded at 567 (offset -21 lines).
> 1 out of 12 hunks FAILED -- saving rejects to file
> src/pmemd/src/cuda/kBNL.h.rej
> patching file src/pmemd/src/cuda/kCCF.h
> patching file src/pmemd/src/cuda/kCalculateLocalForces.cu
> patching file src/pmemd/src/cuda/kNeighborList.cu
>
>
> I do realize that I may not have applied bugfix.18 and bugfix.19, but this
> AMBERHOME only contains pmemd.cuda (and AmberTools 1.5), so I thought that
> wouldn't be a problem?
>
> Thanks,
> Marc
>
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Received on Tue Dec 20 2011 - 02:00:04 PST
