[gmx-users] Re: Gromacs-GPU benchmark test killed after exhausting the memory

[Efrat Exlrod]

Hi Szilard, 

Thanks for your reply. 
I used your script and I think it does look as a memory leak. Please look at the attached runchkmem.out
Is it possible this problem exists in version 4.5.5 and was solved in version 4.6 you are using?
When will version 4.6 be released?

Thanks, Efrat

>Message: 2
>Date: Fri, 2 Mar 2012 14:46:25 +0100
>From: Szil?rd P?ll <szilard.pall at cbr.su.se>
>Subject: Re: [gmx-users] Gromacs-GPU benchmark test killed after
>        exhausting      the memory
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Message-ID:
>        <CANnYEw7rxa0NZ2weuyMwHZUCMfm2K6jyYP1htWGHcBadTvdYuw at mail.gmail.com>
>Content-Type: text/plain; charset="iso-8859-1"
>
>Hi,
>
>First I thought that there might be a memory leak which could have
>caused this if you ran for really long time. However, I've just ran
>the very same benchmark (dhfr with PME) for one hour, monitored the
>memory usage and I couldn't see any change whatsoever (see the plot
>attached).
>
>I've attached a script I used to monitor the memory usage, feel free
>to use if you want check again.
>
>Cheers,
>--
>Szil?rd
>
>
>
>On Wed, Feb 29, 2012 at 9:50 AM, Efrat Exlrod <Efrat.Exlrod at biu.ac.il> wrote:
>> Hi,
>>
>> I have?Gromacs-GPU version 4.5.5 and?GTX 580.
>> I ran?dhfr-solv-PME benchmark test (see below) and my run was killed after
>> couple of hours?exhausting all the computer memory, including the swap (2G
>> +?4G swap).
>> Has anyone encountered this problem? What?is wrong?
>>
>> Thanks, Efrat
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