Re: [AMBER] Amber 12 + GTX 980

From: Scott Le Grand <varelse2005.gmail.com>
Date: Thu, 21 May 2015 15:29:45 -0700

What happened when you tried this? It ought to <fingers crossed> just
work...


On Wed, May 20, 2015 at 11:31 PM, Robinson, Roger <Roger.Robinson.evotec.com
> wrote:

> Hi Ross,
>
> Thanks for the reply will try but doesn't look hopefull.
>
> Roger
>
>
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> -----Original Message-----
> From: Ross Walker [mailto:ross.rosswalker.co.uk]
> Sent: 20 May 2015 17:13
> To: AMBER Mailing List
> Subject: Re: [AMBER] Amber 12 + GTX 980
>
> Hi Roger,
>
> Unfortunately the Maxwell architecture is not supported with AMBER 12
> since it wasn't around at the time of AMBER 12 and the underlying hardware
> changed a LOT from the previous chip.
>
> That being said you could 'try' the following.
>
> 1) Use CUDA 6.5, this is the only version that will likely work here.
>
> 2) Use the update_amber script to apply all the latest patches.
>
> 3) Edit $AMBERHOME/AmberTools/src/configure2 - Lines 751, 754, 1026, 1028,
> 1302 and 1305 add:
>
> -gencode arch=compute_35,code=sm_35 -gencode arch=compute_37,code=sm_37
> -gencode arch=compute_50,code=sm_50
>
> 4) cd $AMBERHOME; ./configure -cuda gnu; make install
>
> Then see if that works. I would suggest running the test cases and
> inspecting them carefully and also check your results carefully.
>
> All the best
> Ross
>
> > On May 20, 2015, at 6:14 AM, Robinson, Roger <Roger.Robinson.evotec.com>
> wrote:
> >
> > Hi,
> >
> > I have a license for Amber12.
> >
> > I can download any version of AmberTools.
> >
> > I have some GTX 980's installed on Centos with the latest Drivers and
> CUDA 5.5, 6.5 and 7.0 available.
> >
> > Is it possible to get the GTX 980 to work with Amber 12 ?
> >
> > I have managed to compile amber12 + AmberTools13 but I get this message
> why I try to run the Cuda tests
> > cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
> >
> > I have tried compiling AmberTools15 but I come to the issue detailed
> here.
> > http://archive.ambermd.org/201409/0080.html
> >
> > Is there any way to get GTX 980 to run with Amber 12 ?
> >
> > Thanks roger
> >
> > [EvotecLogoMail.png]
> > Dr Roger Robinson
> > My Linkedin Profile<
> https://www.linkedin.com/profile/view?id=40177586&trk=nav_responsive_tab_profile
> >
> > Systems Developer
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> > www.evotec.com<blocked::http://www.evotec.com>
> >
> >
> > Evotec(UK) Ltd
> > 114 Innovation Drive
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> > Abingdon
> > Oxfordshire OX14 4RZ
> > United Kingdom
> >
> >
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Received on Thu May 21 2015 - 16:00:04 PDT
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