> On Apr 11, 2018, at 8:19 AM, David A Case <david.case.rutgers.edu> wrote:
>
> On Wed, Apr 11, 2018, Ryan Novosielski wrote:
>>
>> I’m attempting to build Amber16 with AmberTools17 and running into
>> a problem that I don’t believe I previously hit building the same
>> version of AMBER some time back. The error I’m getting is related
>> to the linker not finding -lcuda, first when attempting to build
>> pbsa.cuda and then later trying to build cpptraj.cuda.
>
> We've seen this error ourselves, and I'm not sure why it is just showing
> up now.
>
> Your solution of removing -lcuda from the config.h file is spot on.
> The minor roudouff error you report can be ignored.
>
> This will be fixed in the upcoming Amber18/AmerTools18 release.
>
> ...thanks for the report…dac
Thanks, David.
My assumption was that, since it was only in the new code, it was something that was required by it for some reason, or it was just a choice that someone made and never noticed since they were building on a CUDA-enabled machine. This does not appear in pmemd.cuda, which so far as I know was the only CUDA-enabled binary before AmberTools17, but it appears in both pbsa.cuda and cpptraj.cuda, so I assumed the change appeared with AmberTools17, which I’m just getting around to installing (in part because I ran into this the last time I tried :-P).
What I actually did was fixed AmberTools/src/configure2 to get rid of the pbsa.cuda linker error, since we build via a script and I would like to prevent the -lcuda from ever getting in there versus manually editing the config.h (I suppose alternatively, I could write a patch and apply it automatically after the configure process). However, I can’t find where cpptraj’s config.h is being generated. Does anyone happen to know?
--
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`'
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Received on Wed Apr 11 2018 - 08:00:04 PDT
