Hello Dear Amber users
My graphic cart is NVIDIA Corporation GF108 [GeForce GT 440] (rev a1) and I
installed its driver (nvidia-340) and cuda toolkit 9.1 (nvcc: NVIDIA (R)
Cuda compiler driver, Cuda compilation tools, release 9.0, V9.0.176) and I
can run deviceQuary command, and Amber18 with GPU compatibility without
error, I also set environmental variables:
export AMBERHOME=/usr/local/amber18
export CUDA_HOME=/usr/local/cuda
export PATH=${PATH}:/usr/local/cuda/bin
export
LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/usr/local/cuda/lib64:/usr/local/cuda/lib
in .bashrc and source it, but when I run make test, all jobs fail.
when I run pmemd.cuda, it says:
Unit 5 Error on OPEN: mdin
But when I run pmemd.cuda for my inputs files (pmemd.cuda -O -i md.in -o
md1.out -p com.prmtop -c md.rst -r md1.rst -x md1.inpcrd -e mdenergy1.dat)
, it says:
Error searching for compatible GPU
I also can not run :
mpirun -np 8 pmemd.cuda -O -i md.in -o md1.out -p com.prmtop -c md.rst -r
md1.rst -x md1.inpcrd -e mdenergy1.dat
Would you please tell me, how can I solve this problem.
Thank you very much
Dr. Karim Mahnam
Associate Professor in Shahrkord University
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Received on Sat Aug 17 2019 - 01:00:02 PDT
