> On Apr 11, 2018, at 10:53 AM, Ryan Novosielski <novosirj.rutgers.edu> wrote:
>
>> 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?
Answered my own question: $AMBERHOME/AmberTools/src/cpptraj/configure is generating the other -lcuda instance(s), on line 1271.
--
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||_// the State | Ryan Novosielski - novosirj.rutgers.edu
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|| \\ of NJ | Office of Advanced Research Computing - MSB C630, Newark
`'
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Received on Wed Apr 11 2018 - 08:00:04 PDT
