Hi,
This message has nothing to do with GPU.
You have to use an odd number of MPI processes for Refine3D.
The first rank is for coordination and does not use GPU.
The others are for calculation, the same number for each half set.
e.g.
If you have 2 GPUs, you should use 3 MPI processes.
One GPU for half 1, the other GPU for half 2.
If you have only one GPU, you should still use 3 processes.
In this case, both half sets are processed on the single
GPU simultaneously. Depending on the box size, the program might
run out of GPU memory and crash.
Best regards,
Takanori Nakane
On 2021/08/05 2:10, Patel, Anamika B. wrote:
> Dear all,
>
> We recently installed relion on our server and seems like we cannot successfully run any applications that use GPU. We get following error when we
> try, any idea what is wrong here. Thanks in advance!
>
> in: /usr/local/relion-3.1-source/src/ml_optimiser.cpp, line 2548
> ERROR:
> ERROR: Cannot split data into random halves without using MPI! For debugging ONLY, use --debug_split_random_half 1 (or 2)
> === Backtrace ===
> /usr/local/relion-3.1/bin/relion_refine(_ZN11RelionErrorC1ERKSsS1_l+0x47) [0x560127]
> /usr/local/relion-3.1/bin/relion_refine() [0x44ee74]
> /usr/local/relion-3.1/bin/relion_refine(main+0x41) [0x49bba1]
> /usr/lib64/libc.so.6(__libc_start_main+0xf5) [0x7f128c9b2555]
> /usr/local/relion-3.1/bin/relion_refine() [0x49e7bf]
> ==================
> ERROR:
> ERROR: Cannot split data into random halves without using MPI! For debugging ONLY, use --debug_split_random_half 1 (or 2)
>
> Anamika Patel (Ph.D.)
> Department of Biochemistry
> Emory University
> Atlanta GA 30322
>
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