I never updated AMBER14 or tried to modify anything, so it is
implausible that some update or modification caused the problem. How can
I get a fresh copy of AMBER as to your suggestion? I work at UF so we
should have license for it, but I could not find something like a
download page to download to whole package.
Thanks,
Alican
On Tue, 19 Aug 2014 08:51:45 -0400, Jason Swails wrote:
> On Tue, 2014-08-19 at 08:18 -0400, Gulsevin,Alican wrote:
>> Hello,
>>
>> I was running some calculations involving a) PMEMD, b)
>> Quasi-Harmonic
>> Analysis and AMBER14 stopped working, giving GpuBuffer errors first
>> for
>> the PMEMD calculations, only killing the Quasi-Harmonic analysis
>> jobs
>> without giving any warnings. After this, I thought updating AMBER
>> might
>> be a good idea, for some of the newer patches contain fixes for
>> cpptraj
>> and MMPBSA.py I am using, which could help.
>>
>> When I try to update amber by ./update_amber --update command, I get
>> the following answer:
>>
>> Preparing to apply updates... please wait.
>> Applying AmberTools 14/update.1
>> instance: .patches/AmberTools14_Unapplied_Patches/update.1 failed to
>> apply. No changes made from this patch
>
> What this means is that the files that update.1 modifies have already
> been modified in a way that is incompatible with that patch. There
> are
> a number of ways this can happen, so if you know how it happened and
> can
> reverse those changes, you will need to do that before updating.
>
> If not, you can start over with a fresh copy of Amber 14 and
> AmberTools
> 14.
>
> HTH,
> Jason
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Received on Tue Aug 19 2014 - 09:00:03 PDT
