Hi Asfarina,
Please send (directly to me) your input files and details of how to
reproduce this error please. That is the mdin, inpcrd, prmtop and the
exact command line you ran, on what type of hardware (mdout from your run
would be useful here) as well as when to expect the failure to occur.
Thanks.
All the best
Ross
On 5/8/14, 1:31 AM, "ASFARINA AMIR HASSAN" <asfarina.siswa.um.edu.my>
wrote:
>Hi all,
>
>Sorry I need to re-post this. It has been 2 weeks since my last e-mail
>regarding to kernal error. But didn't find solution yet.
>
>My problem is, I cannot run pmemd.cuda where it gives me an error:
>Error: invalid argument launching kernel kNLGenerateSpatialHash
>
>I managed to run pmemd in CPU, but not pmemd.cuda.
>I already installed the latest NVIDIA driver with updated amber tools 13.
>
>So please if anybody can help me on this.
>
>Thank you in advance.
>
>Regards,
>Asfarina
>
>---------- Forwarded message ----------
>From: ASFARINA AMIR HASSAN <asfarina.siswa.um.edu.my>
>Date: Mon, Apr 28, 2014 at 1:51 PM
>Subject: Re: [AMBER] Error: invalid argument launching kernel
>kNLGenerateSpatialHash
>To: AMBER Mailing List <amber.ambermd.org>
>
>
>Yea I already update with amber tools 13 as what you said.
>I also try to run pmemd in CPU and it works!
>But not for pmemd.cuda.
>The "Error: invalid argument launching kernel kNLGenerateSpatialHash"
>still
>occur.
>Any other alternative that I can try?
>
>
>On Thu, Apr 24, 2014 at 7:26 PM, Jason Swails
><jason.swails.gmail.com>wrote:
>
>> On Thu, 2014-04-24 at 17:01 +0800, ASFARINA AMIR HASSAN wrote:
>> > Dear Amber users,
>> >
>> > I got this error when running pmemd.cuda:
>> >
>> > Error: invalid argument launching kernel kNLGenerateSpatialHash
>> >
>> > I follow as what Ross Walker mention in
>> > http://archive.ambermd.org/201309/0011.html
>> >
>> > In my case, I do this:
>> >
>> > tar xvjf AmberTools12.tar.bz2
>> > tar xvjf Amber12.tar.bz2
>> > cd amber12
>> > export AMBERHOME=`pwd`
>> > ./update_amber.py --update
>> > ./update_amber.py --update
>> >
>> > ./configure -cuda gnu
>> > make install
>> > make test
>> >
>> > But then the error still occurred.
>> >
>> > FYI, I'm using cuda 5.5, Ubuntu 12.04 with NVIDIA driver 331.67.
>> > My graphic card is Quadro FX 3800.
>> >
>> > Please guide me on this.
>>
>> First, make sure you are using AmberTools 13. You can upgrade in-place
>> using the command:
>>
>> cd $AMBERHOME
>> ./update_amber --upgrade
>> ./update_amber --update
>> ./configure -cuda gnu
>> make install
>>
>> That said, if the error is _still_ occurring, the first step in
>> debugging pmemd.cuda issues is _always_ to try your simulation with the
>> CPU versions of pmemd and see if it works there. If it does not work
>> with the CPU version, then there is likely something wrong with your
>> system and the error messages from pmemd or pmemd.MPI are often a bit
>> more helpful than the corresponding messages from pmemd.cuda.
>>
>> HTH,
>> Jason
>>
>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Thu May 08 2014 - 02:30:03 PDT
