Thank you Ruxi for identifying the source of this issue.
I've commented out the cuda_rutime.h line from the file cuda_cg_wrapper.cu
in AmberTools/src/pbsa, did a make clean, reran configure -cuda intel and
that build also seemed to fail in the same spot. I've done a make
uninstall and am now building again.
I'm afraid I've got to run to a meeting now and I've got meetings/class
pretty much all day so I'm not sure when I'll be able to get to testing,
but I should at least be able to verify whether this build worked for me or
not in a couple hours...
Cheers,
Brent
On Fri, Apr 7, 2017 at 2:42 AM, Ruxi Qi <ruxiq.uci.edu> wrote:
> Just found a similar story with GCC in pmemd.cuda of Amber12. See
> http://archive.ambermd.org/201307/0456.html
>
> Best,
>
> Ruxi
>
> On 04/06/2017 11:38 PM, Ruxi Qi wrote:
> > Hi All,
> >
> > I found the real cause. It is the <cuda_runtime.h> included in our
> > cuda wrapper code (not cusp) that triggered the ICC version checking
> > in host_config.h. In contrast, pmemd.cuda doesn't use this header,
> > thus won't trigger the runtime compiler checking. A quick "fix" is
> > just removing the <cuda_runtime.h> inclusion in our code as long as we
> > use nvcc to compile.
> >
> > Two concerns:
> >
> > 1) As shown by those OS/Compiler/CUDA compatibility matrices from
> > Nvidia, allowing the use of the compiler not officially supported
> > (tested) by CUDA is of risk. I don't know to what extent this effect
> > will be, maybe not a big deal?
> >
> > 2) For now, we can fix this compiler error either through a) Add a
> > logic checking on the icc version to configure as suggested
> > previously, or b) I remove the <cuda_rutime.h> inclusion in our code -
> > this will need another round combination tests. Also just mention
> > again, user manually commenting out the #error line in host_config.h
> > will also be a workaround (not recommended?).
> >
> > Thanks!
> >
> > Ruxi
> >
> >
> >
> > On 04/06/2017 07:55 PM, Daniel Roe 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 It's nvcc that complains the outdated ICC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
> >>
> >
>
>
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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 Fri Apr 07 2017 - 06:00:05 PDT
