On Thu, May 24, 2018, Meng Wu wrote:
>
> I typed "./update_amber --upgrade", it stopped in the
> update.5: PatchingError: .patches/Amber16_Unapplied_Patches/update.5
> failed to apply. No changes made from this patch.
The --upgrade switch is for going from AmberTools16 to AmberTools17.
You probably wanted the --update flag, but I'm not sure that was really
any problem.
> Then I
> downloaded the update files to local and applied them as the
> third-party patches using '--apply-patch=', I typed "./update_amber
> --show-applied-patches" and now it shows:
>
>
> Third-party Patches:
> --------------------
> update.11, update.1, update.8, update.7, update.5, update.13, update.10,
> update.3, update.6, update.12, update.4, update.2
It looks like everything has been applied. update.5 just deals with
Titan-XP GPU in pmemd.cuda, which may not be of interest to you.
>
> Does this mean I have applied all the updates for Amber16
> successfully? If yes, then how could I make these updates effective
> at one time? Just use './configure gnu' and then 'make install'?
Above is correct. You could also start from a clean install and retry
./update_amber --update. In either case, type "make test" after the
make install step, to check that things are working OK.
....dac
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Received on Thu May 24 2018 - 05:00:06 PDT
