Re: [AMBER] trouble running pmemd.cuda

From: Brian Radak <brian.radak.accts.gmail.com>
Date: Wed, 25 Mar 2015 13:46:24 -0500

Ah yes, the compiling equivalent of "turning it off and on again."
Unfortunately it looks like the result is the same.

Double checking my CUDA_HOME, etc. settings:

>> nvcc -V
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2014 NVIDIA Corporation
Built on Thu_Jul_17_21:41:27_CDT_2014
Cuda compilation tools, release 6.5, V6.5.12
>> echo $CUDA_HOME
/usr/local/cuda-6.5
>> echo $LD_LIBRARY_PATH
/home/radak/software/amber14/lib:/usr/local/cuda-6.5/lib64:/usr/local/cuda-6.5/lib

The CUDA install instructions I found suggested the "lib64" addition above,
but the AMBER install msg only suggests "lib". Is that all cool?



On Wed, Mar 25, 2015 at 12:41 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Brian,
>
> This sort of thing can occur when the CUDA runtime library that gets used
> at runtime does not match the CUDA version used to compile the code. This
> is inline with what you suggest below regarding CUDA 7 etc. I would suggest
> starting from a brand new Amber untar and build it again. Make sure that
> your CUDA_HOME variable (and anything in your LD_LIBRARY_PATH) match the
> cuda compiler version that 'nvcc -V' returns.
>
> If the problem still persists let me know.
>
> All the best
> Ross
>
> > On Mar 25, 2015, at 10:30 AM, Brian Radak <brian.radak.accts.gmail.com>
> wrote:
> >
> > I've been able to successfully compile pmemd.cuda on a new desktop
> running
> > Ubuntu 14.04 with a Quadro K2200 (I know it probably won't be fast, but
> it
> > has Kepler architecture so it should be good for small tests).
> >
> >
> > This was my sequence:
> > configure -cuda gnu
> > make -j8
> > cd test && make test.cuda
> >
> > However all of the tests error out and most or all give the msg:
> >
> > cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
> >
> > Suggestions?
> >
> > Possibly relevant - Without thinking I originally installed cuda 7.0. I
> > then had to uninstall that as well as the updated driver (346 or
> > something?) and then install the "old" 6.5/340 toolkit/driver. I don't
> > *think* that was a problem, bc I can compile and run the cuda-samples.
> >
> > Thanks,
> > Brian
> >
> > --
> > Brian Radak
> > Postdoctoral Scholar
> > University of Chicago
> > Department of Biochemistry & Molecular Biology
> > Gordon Center for Integrative Science, W323A
> > 929 E. 57th St.
> > Chicago, IL 60637-1454
> > Tel: 773/834-2812
> > e-mail: radak.uchicago.edu
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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>



-- 
Brian Radak
Postdoctoral Scholar
University of Chicago
Department of Biochemistry & Molecular Biology
Gordon Center for Integrative Science, W323A
929 E. 57th St.
Chicago, IL 60637-1454
Tel: 773/834-2812
e-mail: radak.uchicago.edu
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Received on Wed Mar 25 2015 - 12:00:05 PDT
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