Re: [AMBER] Is Amber18 compatible with GCC-7.x

From: David A Case <>
Date: Thu, 26 Jul 2018 10:00:58 -0400

On Thu, Jul 26, 2018, Mirza Ahmed Hammad wrote:
> Many thanks for your answers. In fact Python error was solved by Dr.
> David's suggestion by logout and re-login to system. For Cuda problem, In
> first instance I installed Opensuse15.0 (GCC7.x) with cuda9.2 driver
> version 396.x. During make step for '-cuda' keyword I got many waning
> messages but no error.

All this sounds normal.

> Following is type of the warning message that I got
> " ptxas /tmp/tmpxft_00006011_00000000-5_kCalculateGBNonbondEnergy1.compute_61.ptx,
> line* 4963*; warning : Instruction *'shfl*' without '.sync' is deprecated
> since PTX ISA version 6.0 and will be discontinued in a future PTX ISA
> version"

I think you may not be reading the message the same way I do. This just
says that in some future CUDA release, the code involved will no longer
be valid. We are aware of these issues, but warnings like the above are
not a reason for concern.

> I tried to replace Cuda9.2 with Cuda9.1 keeping
> driver version 396.x but it gives me error ....

Indeed: only Cuda9.2 is compatible with gcc7. Once you go down the
rabbit hole of going back to earlier CUDA vesions, then you have to go
back to earlier gcc versions as well.

Please note: The fact that you were able to get rid of the above
warning means nothing: in earlier times, NVIDIA did not yet realize (at
least publically) that it was planning to deprecate some code in future
releases. Now, in more recent releases, it is providing warnings to
developers to give them time to adapt to what may happen. You are no
"safer" in having code compiled without this warning than with having

The warnings have nothing to do with the version of gcc you are using.

...hope this helps....dac

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Received on Thu Jul 26 2018 - 07:30:02 PDT
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