Re: [AMBER-Developers] Nvidia DGX A100

From: David A Case <>
Date: Wed, 22 Jul 2020 15:03:41 -0400

On Wed, Jul 22, 2020, Jason Swails wrote:
>The docker image used for Amber GPU builds is defined here:

This is a long email thread, and I understand people saying things like:
"we don't have enough information to say why this test or that test is
failing on the Jenkins/CI" server.

BUT: I haven't seen any one say something like "I took the released
version, added Adrian's new CudaConfig.cmake file (attached here), ran
"make test.cuda.serial" on my system, and it works." Pick whaever GPU you
have handy.

This doesn't require any access to gitlab. And, if a failure occurs, at
least that person has a machine on which debugging might be done. If
no failures occur, *then* we can start to point the finger at the CI
configuration, or maybe something specific to 780Ti cards.

My frustration is this: we shouldn't be relying on Jason/Jenkins/CI to
be testing things related to GPU problems. There are dozens of Amber
developers who could try this out, and report what they find. (I know I
am one of them, but I'm already spending hours every day on Amber-related

Various comments from the email thread that might be helpful:

>> It looks the only change in CudaConfig.cmake is really switching from
>> using “compute70,sm70” to “compute_60,sm70”. That was a topic we discussed
>> in length. But it’s unclear whether that’s the reason for this test
>> failure.
>> Can we have a version that keeps EVERUTHING the same as before form
>> Aber20, but just adds support for Ampere/cuda11 clenly ?
>> On 7/14/20 6:37 PM, Peng Wang wrote:
>> In any case, it should work if she just replace the attached file by the
>> master branch version.

What I want to do is replace "should work" with "works for me on this GPU".


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Received on Wed Jul 22 2020 - 12:30:03 PDT
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