[gmx-users] C2075 not detected by gmx 2018.3

[Mahmood Naderan]

Hi
I have built 2018.3 with the following command in order to test that with c2075
$ cmake .. -DGMX_GPU=on -DCMAKE_INSTALL_PREFIX=../single -DGMX_BUILD_OWN_FFTW=ON 

While deviceQuery shows the device properly, when I run

$ gmx mdrun -nb gpu -v -deffnm nvt

I get this error

Fatal error:
Cannot run short-ranged nonbonded interactions on a GPU because there is none
detected.


That is weird because I also see

WARNING: An error occurred while sanity checking device #0; cudaErrorMemoryAllocation: out of memory



The device has 6GB of memory and I am sure that my input doesn't need all that. I have test that with a GPU with 4GB of memory.

Any idea about the error?


Regards,
Mahmood