[gmx-users] GROMACS 5.0.5 GPU version on K620
pall.szilard at gmail.com
Sat Jul 18 00:39:54 CEST 2015
Whyle GROMACS 5.0.x build system does not explicitly generate options
targeting 5.x devices, the binary built should still be compatible with
your GPU. You can try adding the device-specific optimization flags with the
cmake flag, but I'm not sure this fix the issue.
What does gmx -version show?
On Fri, Jul 17, 2015 at 11:49 PM, Krzysztof Kuczera <kkuczera at ku.edu> wrote:
> Hi Group,
> I am getting a run-time error on my Linux workstation with K620 GPU
> for the GPU version of GROMACS 5.0.5
> using gcc 4.8.3 and CUDA Toolkit 7.0 I had no problem compiling the code
> but got this error when starting a test case:
> Program mdrun, VERSION 5.0.5
> Source code file:
> nbnxn_cuda.cu, line: 619
> Fatal error:
> cudaStreamSynchronize failed in cu_blockwait_nb: an illegal memory access
> was encountered
> Searching the Web, I found that this type of error was already resolved in
> GROMACS 4.6 some time ago.
> Could somebody suggest a solution?
> We have been able to compile and run GROMACS 5.0.4 on an older GPU with
> compute capability 3.5,
> my newer K620 has compute capability 5.0 - could this be the problem ?
> Krzysztof Kuczera
> Departments of Chemistry and Molecular Biosciences
> The University of Kansas
> 1251 Wescoe Hall Drive, 5090 Malott Hall
> Lawrence, KS 66045
> Tel: 785-864-5060 Fax: 785-864-5396 email: kkuczera at ku.edu
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