[gmx-users] GROMACS 5.0.5 GPU version on K620

[Krzysztof Kuczera]

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: 
/home/kuczera/prog/gromacs-5.0.5/src/gromacs/mdlib/nbnxn_cuda/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 ?

Thanks
Krzysztof

-- 
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
http://oolung.chem.ku.edu/~kuczera/home.html