Just briefly confirming that, yes I was able to build pmemd.cuda with the
same ICC 12.0 and CUDA-7.5.
On Thu, Apr 6, 2017 at 10:55 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Thu, Apr 6, 2017 at 6:59 PM, Ruxi Qi <ruxiq.uci.edu> wrote:
> > 1. I once encountered the same error. Indeed, this error is not because
> > of linking CUSP library. It's nvcc that complains the outdated ICC
> > version. Per the Nvidia official documents, CUDA 7.5 only supports ICC
> > 15.0.0, as shown bellow:
>
> This is not really the case, at least for Intel compilers version 14.
> I was just able to compile pmemd.cuda from Amber 16 and
> cpptraj/pmemd.cuda from amber17-with-patches with Intel V 14 compilers
> and CUDA 7.5. I think this issue is really CUSP-related since as Brent
> stated he was previously able to compile pmemd.cuda from Amber 16 with
> Intel V12 compilers and CUDA 7.5.
>
> >
> > 3. Adding a --no-pbsa.cuda option is good for safety's sake in this
> > release. I agree with Hai that we may put it built as default, since it
> > generally follows the Nvidia CUDA installation rule.
>
> Probably the best solution would be to add logic to 'configure' that
> will disable pbsa.cuda if the Intel compiler version is not high
> enough. May need to do the same thing for GNU compilers if there is a
> similar issue.
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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>
--
_______________________________________________
Brent P. Krueger.....................phone: 616 395 7629
Professor.................................fax: 616 395 7118
Hope College..........................Schaap Hall 2120
Department of Chemistry
Holland, MI 49423
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Received on Thu Apr 06 2017 - 21:00:03 PDT
