Not enough GPU device memory
mirix
miro... at gmail.com
Fri Nov 30 22:30:02 UTC 2012
Hello,
I am new to CP2K and I am not a developer, just a chemist. I have just
compiled CP2K in a Debian Testing 64-bit workstation with 64GB of RAM. I
have created a parallel binary, which, in theory is also CUDA-enabled. In
the workstation right now there is only an NVIDIA Quadro FX4800 with 1.5GB
of memory, but I have 3 Teslas in a drawer waiting for CP2K to become
useful.
However, I have just run the test C.inp, which apparently ran fine, but
there are many output lines containing the following:
NOT ENOUGH GPU DEVICE MEMORY!
Searching through the manual, I have only found a CUDA/GPU-related keyword,
which is memory. The default is -1. What does it mean? That the GPU should
not be used or that the memory is unlimited?
In fact, modifying the input like this seems to solve the problem:
&GLOBAL
PROJECT C
PRINT_LEVEL LOW
&CUDA
MEMORY 533504
&END CUDA
&END GLOBAL
I would like to know if the CUDA options are documented somewhere and, in
particular, if I can choose which GPU to use and if I can use more than one
GPU per calculation.
Kind regards,
Miro
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