Re: [AMBER-Developers] problems in buildling pbsa.cuda

From: Ruxi Qi <ruxiq.uci.edu>
Date: Thu, 6 Apr 2017 23:42:48 -0700

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 It's nvcc that complains the outdated ICC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
>>
>


_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Apr 07 2017 - 00:00:03 PDT
Custom Search