Dear everyone:
First, I have successfully install the pmemd.cuda with cuda-8.0 and GeForce GTX 1080, and I run large systems of protein in MD simulation with pmemd.cuda module. Once the same question had been happened, but I solved it with ./update_amber --update ( pudate amber 15.0)
Today, I am install the pmemd.cuda with cuda-8.0 and GeForce RTX 2080, but I can not solve this question:cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol. So my amber cannot run with pmend.cuda, but running with pmend and pmemd.MPI.
However, I have checked deviceQuery, such as :
a. run the deviceQuery samlpe: ./deviceQuery results = PASS.
b. nvidia-smi and nvcc: the gpu imformation is showing.
c. ./update_amber --update ( pudate amber 15.0) .
So what is the problem in my installation of pmemd.cuda.
Besides, I found that after install ./configuration -cuda gnu , make install. there is not any error imformation shown, but make test , have serveral error. What's wrong with my installation of pmemd.cuda
Yout sincerely,
Fangjia Fu
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Received on Wed Apr 03 2019 - 07:30:02 PDT
