[gmx-users] GPU problem with running gromacs.2018

[Osmany Guirola Cruz]

Yes, it is true, sorry, but I have problems with both. With version
2018 the error it's diferent. that's why i compiled an older version.
 

Osmany


-----Original Message-----
From: Szilárd Páll <pall.szilard at gmail.com>
Reply-to: gmx-users at gromacs.org
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Subject: Re: [gmx-users] GPU problem with running gromacs.2018
Date: Thu, 15 Feb 2018 18:23:51 +0100

PS: Also, what you pasted in here states "2016.4", but your subject
claims version 2018
--
Szilárd


On Thu, Feb 15, 2018 at 6:23 PM, Szilárd Páll <pall.szilard at gmail.com>
wrote:
> Please provide a full log file output.
> --
> Szilárd
> 
> 
> On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz
> <osmany.guirola at biocomp.cigb.edu.cu> wrote:
> > Hi
> > 
> > I am having problems running mdrun command compiled with GPU
> > support(cuda 9.0).
> > here is  the output of the mdrun command....
> > 
> > ........
> > Using 1 MPI thread
> > Using 4 OpenMP threads
> > 
> > 1 compatible GPU is present, with ID 0
> > 1 GPU auto-selected for this run.
> > Mapping of GPU ID to the 1 PP rank in this node: 0
> > 
> > 
> > WARNING: Just caught a previously occurred CUDA error (no kernel
> > image
> > is available for execution on the device), will try to continue.
> > 
> > 
> > -------------------------------------------------------
> > Program:     gmx mdrun, version 2016.4
> > Source file: src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu (line 740)
> > 
> > Fatal error:
> > cudaFuncSetCacheConfig failed: invalid device function
> > 
> > For more information and tips for troubleshooting, please check the
> > GROMACS
> > website at http://www.gromacs.org/Documentation/Errors
> > ...............
> > 
> > 
> > Thanks.
> > Osmany
> > 
> > --
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