Hi Roger,
Unfortunately the Maxwell architecture is not supported with AMBER 12 since it wasn't around at the time of AMBER 12 and the underlying hardware changed a LOT from the previous chip.
That being said you could 'try' the following.
1) Use CUDA 6.5, this is the only version that will likely work here.
2) Use the update_amber script to apply all the latest patches.
3) Edit $AMBERHOME/AmberTools/src/configure2 - Lines 751, 754, 1026, 1028, 1302 and 1305 add:
-gencode arch=compute_35,code=sm_35 -gencode arch=compute_37,code=sm_37 -gencode arch=compute_50,code=sm_50
4) cd $AMBERHOME; ./configure -cuda gnu; make install
Then see if that works. I would suggest running the test cases and inspecting them carefully and also check your results carefully.
All the best
Ross
> On May 20, 2015, at 6:14 AM, Robinson, Roger <Roger.Robinson.evotec.com> wrote:
>
> Hi,
>
> I have a license for Amber12.
>
> I can download any version of AmberTools.
>
> I have some GTX 980's installed on Centos with the latest Drivers and CUDA 5.5, 6.5 and 7.0 available.
>
> Is it possible to get the GTX 980 to work with Amber 12 ?
>
> I have managed to compile amber12 + AmberTools13 but I get this message why I try to run the Cuda tests
> cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
>
> I have tried compiling AmberTools15 but I come to the issue detailed here.
> http://archive.ambermd.org/201409/0080.html
>
> Is there any way to get GTX 980 to run with Amber 12 ?
>
> Thanks roger
>
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Received on Wed May 20 2015 - 09:30:02 PDT
