Re: [AMBER] REMD error

From: Marcela Madrid <mmadrid.psc.edu>
Date: Wed, 3 Jul 2019 17:52:19 -0400

ok thanks a lot for all your input.
The K80s also fail.

Marcela



> On Jul 3, 2019, at 5:49 PM, koushik kasavajhala <koushik.sbiiit.gmail.com> wrote:
>
> I think it has something to do with the way the gpus are shared in a single
> application. NEB also uses multiple input files. I am sure that the 4
> replica REMD gpu jobs will also fail saying that 3 Input files
> (rem.in.00[1-3] files) are not found.
>
> I was looking at your website and found that the K80 nodes are better
> designed for sharing gpus in a single application and hence, suggested
> using it but that doesn’t seem to help.
>
> Sorry, I am out of options here. Maybe others on the list can help.
>
> Best,
> Koushik
>
> On Wed, Jul 3, 2019 at 5:38 PM Marcela Madrid <mmadrid.psc.edu> wrote:
>
>> yes, i have tried, same error. But what is the solution?
>> I am attaching the files again. The 4 PEs test also fails in
>> Run.neb_gb_full
>> I will look into that.
>>
>> Marcela
>>
>>> On Jul 3, 2019, at 5:21 PM, koushik kasavajhala <
>> koushik.sbiiit.gmail.com> wrote:
>>>
>>> Ohh!! I see what the issue is. REMD jobs use multiple input files - one
>>> file for each replica. In your case, it is always the second input file
>>> (rem.in.001) that isn’t found. Have you tried it on the K80 nodes on your
>>> cluster?
>>>
>>> On Wed, Jul 3, 2019 at 4:53 PM koushik kasavajhala <
>> koushik.sbiiit.gmail.com>
>>> wrote:
>>>
>>>> Sorry, I don’t see the attachments. Can you resend? The 2 GPU test log
>>>> file (makecudatestmpi2.log?) should be sufficient.
>>>>
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Received on Wed Jul 03 2019 - 15:00:03 PDT
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