Thank Charles Lin,
Would it be ok to proceed with my current installation for mpi and cuda
support?
Regards,
On Wed, May 30, 2018 at 9:54 AM, Charles Lin <clin92.ucsd.edu> wrote:
> AmberTools 18 patches and Amber 16 patches are probably incompatible. The
> patcher searches for updates for Amber 18 not Amber 16. I'd suggest
> getting AmberTools17 or AmberTools 16 with your Amber 16, and having a
> separate installation with AmberTools 18. So you'll have 2 folders amber16
> (containing AT17/AT16 + A16) and amber18 (containing AT18). Tools from
> AmberTools 18 will be compatible for running your simulations using Amber16.
>
>
> -Charlie
> ________________________________
> From: senal dinuka <senal.ichemc.edu.lk>
> Sent: Wednesday, May 30, 2018 12:10:54 AM
> To: AMBER Mailing List
> Subject: [AMBER] Automatic patching failed!
>
> Dear Amber users,
> I was able to compile Amber16 engine along with AmberTools18 and run all
> the test without any issue. But there was an error reported when I try to
> update at the configuration step. I was able to proceed without applying
> the relevant patch. I have amended the reported the error below. Please can
> you clarify on this. Is this due to any missing packages or an issue with
> the source code?
>
> Checking for updates...
> Checking for available patches online. This may take a few seconds...
>
> Available AmberTools 18 patches:
>
> No patches available
>
> Available Amber 18 patches:
>
> update.1 (modifies pmemd)
> Released on May 21, 2018 (written by Vinicius Wilian D. Cruzeiro)
> Description:
> Adds an error message when users run REMD and the box sizes are not the
> same across all replicas.
>
>
> There are patches available. Do you want to apply them now? [y/N]
> (Recommended Y)
> Y
> Preparing to apply updates... please wait.
> No new updates available for AmberTools 18
> Applying Amber 18/update.1
> PatchingError: .patches/Amber18_Unapplied_Patches/update.1 failed to
> apply.
> No changes made from this patch
> Automatic patching failed! Check the errors before re-configuring
>
> *P.S My AMBERHOME is defined as ../Amber18 due to first extraction of
> AmberTools18*
>
> Regards,
> --
> D L Senal Dinuka
> Grad.Chem., A.I.Chem.C.
> Research Assistant
> College of Chemical Sciences
> Institute of Chemistry Ceylon
> Rajagiriya
> Sri Lanka
> +94 77 627 4678
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
D L Senal Dinuka
Grad.Chem., A.I.Chem.C.
Research Assistant
College of Chemical Sciences
Institute of Chemistry Ceylon
Rajagiriya
Sri Lanka
+94 77 627 4678
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Received on Tue May 29 2018 - 22:00:03 PDT
