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pygbe / pygbe

PyGBe: Python, GPUs and Boundary elements for electrostatics
http://pygbe.github.io/pygbe/docs
BSD 3-Clause "New" or "Revised" License
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GPU not detected #87

Open Marr575 opened 4 years ago

Marr575 commented 4 years ago

Hi again

When I run pygbe I got this message

----------------------No GPU DETECTED----------------------- Your param file has GPU = 1 but CUDA was not detected. Continuing using CPU. If you do not want this, use Ctrl-C to stop the program and check that your CUDA installation is on your $PATH ----------------------No GPU DETECTED-----------------------

I have already installed cuda (10.2) when I check the setting of the nvidia card with

$ nvidia-smi

I got the next information

+-----------------------------------------------------------------------------+ | NVIDIA-SMI 440.33.01 Driver Version: 440.33.01 CUDA Version: 10.2 | |-------------------------------+----------------------+----------------------+ | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC | | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. | |===============================+====================== | 0 GeForce GTX 106... On | 00000000:01:00.0 On | N/A | | 43% 38C P8 7W / 120W | 413MiB / 6075MiB | 0% Default | +-------------------------------+----------------------+----------------------+

+-----------------------------------------------------------------------------+ | Processes: GPU Memory | | GPU PID Type Process name Usage | |=================================================== | 0 1661 G /usr/lib/xorg/Xorg 18MiB | | 0 1745 G /usr/bin/gnome-shell 48MiB | | 0 2151 G /usr/lib/xorg/Xorg 213MiB | | 0 2297 G /usr/bin/gnome-shell 55MiB | | 0 3562 C /usr/lib/libreoffice/program/soffice.bin 63MiB | +-----------------------------------------------------------------------------+

but in anyway when I run pygbe it still send me the message, How I could fix it?. I need to mention that when I installed cuda, I had to installed in two parts, first the drivers and then the cuda tool kit because if not, I got an error message during the installation of cuda.

The path of cuda is the default

/usr/local/cuda

ncclementi commented 4 years ago

Hello Marr, I recall mentioning this on the past. PyGBe needs double precision GPUs, the one that you have it's just a graphic card. You won't be able to run on that GPU, but you can still run pygbe on the CPU version, it will just take longer. To use CPU switch the parameter to 0.