Hello AMBER development team,
I am trying to compile the GPU version of AMBER with an NVIDIA GTX-1080. Everything appears to be fine until I run "make test" where are all the tests fail with the following error:
cudaGetDeviceCount failed unknown error
I found the link where this error is mentioned:
https://mailman.ucsd.edu/pipermail/mccammon-support-l/2015/000673.html
However, re-running as sudo per their "quick and dirty" solution doesn't work, and the link to the longer term solution is dead.
My serial and parallel builds seem to be fine.
I also noticed the following during the "make install" step:
nvcc warning : The 'compute_20', 'sm_20', and 'sm_21' architectures are deprecated, and may be removed in a future release (Use -Wno-deprecated-gpu-targets to suppress warning).
Since it's just a warning, I don't think it matters, but I figured I would mention it just in case.
I did some more digging around on google and found the following link:
https://devtalk.nvidia.com/default/topic/617414/-solved-cuda-driver-version-is-insufficient-for-cuda-runtime-version-fedora-18-rpmfusion-driver/
This thread says to do the following:
1. $ cd /usr/lib[64]/nvidia
2. $ sudo ln -s libcuda.so.1 libcuda.so
3. $ sudo ldconfig
I did this, but I'm still experiencing the same error.
Here is so information from the log from "make test"
cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP /storage/Programs/Amber/amber16/include/netcdf.mod
cudaGetDeviceCount failed unknown error
./Run.igb1_ntc1_min: Program error
make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored)
cd gb_ala3/ && ./Run.irest1_ntt0_igb1_ntc1 DPFP /storage/Programs/Amber/amber16/include/netcdf.mod
cudaGetDeviceCount failed unknown error
./Run.irest1_ntt0_igb1_ntc1: Program error
make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored)
cd gb_ala3/ && ./Run.irest0_ntt0_igb1_ntc1_hotstart DPFP /storage/Programs/Amber/amber16/include/netcdf.mod
cudaGetDeviceCount failed unknown error
./Run.irest0_ntt0_igb1_ntc1_hotstart: Program error
make[3]: [test.pmemd.cuda.gb.serial] Error 1 (ignored)
Thanks for your time,
Hector A. Velazquez
Computational Chemistry and Cheminformatics Specialist
NewLink Genetics
515-296-5555
Ext. 2909
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Received on Wed Jul 12 2017 - 12:30:02 PDT
