3dem / relion

Image-processing software for cryo-electron microscopy
https://relion.readthedocs.io/en/latest/
GNU General Public License v2.0
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running relion locally with 4 gpu cards #768

Closed jhansen6 closed 3 years ago

jhansen6 commented 3 years ago

running relion 3.1 cuda 10.1

machine has 4 GPU cards (See below). But I can only ever get the job to run with 1 card at a time!

I ask for 4 cards but it only uses one card. Any suggestions? thanks

mpirun --np 5 relion_refine_mpi --gpu "0 1 2 3" --o Class2D/job002/run --i particlesstar --dont_combine_weights_via_disc --pool 3 --pad 2 --ctf --ctf_intact_first_peak --iter 25 --tau2_fudge 2 --particle_diameter 120 --K 100 --flatten_solvent --zero_mask --oversampling 1 --psi_step 12 --offset_range 20 --offset_step 6 --norm --scale --j 1 --pipeline_control Class2D/job002/

+-----------------------------------------------------------------------------+ | NVIDIA-SMI 430.40 Driver Version: 430.40 CUDA Version: 10.1 | |-------------------------------+----------------------+----------------------+ | 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 RTX 208... Off | 00000000:18:00.0 Off | N/A | | 52% 85C P2 185W / 250W | 10837MiB / 11019MiB | 56% Default | +-------------------------------+----------------------+----------------------+ | 1 GeForce RTX 208... Off | 00000000:3B:00.0 On | N/A | | 30% 50C P8 16W / 250W | 73MiB / 11019MiB | 0% Default | +-------------------------------+----------------------+----------------------+ | 2 GeForce RTX 208... Off | 00000000:86:00.0 Off | N/A | | 29% 41C P8 17W / 250W | 11MiB / 11019MiB | 0% Default | +-------------------------------+----------------------+----------------------+ | 3 GeForce RTX 208... Off | 00000000:AF:00.0 Off | N/A | | 29% 36C P8 10W / 250W | 11MiB / 11019MiB | 0% Default | +-------------------------------+----------------------+----------------------+

This is a template for reporting bugs. Please fill in as much information as you can.

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Please write a clear description of what the problem is. Data processing questions should be posted to the CCPEM mailing list, not here. DO NOT cross post a same question to multiple issues and/or many mailing lists (CCPEM, 3DEM, etc).

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A line in the STAR file contains fewer columns than the number of labels. Expected = 3 Found = 2
Error in line: 0 0.0
in: /prog/relion-devel-lmb/src/metadata_table.cpp, line 966
=== Backtrace  ===
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN11RelionErrorC1ERKSsS1_l+0x41) [0x42e981]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN13MetaDataTable12readStarLoopERSt14basic_ifstreamIcSt11char_traitsIcEEPSt6vectorI8EMDLabelSaIS6_EESsb+0xedd) [0x4361ad]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN13MetaDataTable8readStarERSt14basic_ifstreamIcSt11char_traitsIcEERKSsPSt6vectorI8EMDLabelSaIS8_EESsb+0x580) [0x436f10]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN10Micrograph4readE8FileNameb+0x5a3) [0x454bb3]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN10MicrographC2E8FileNameS0_d+0x2e3) [0x4568b3]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN17MicrographHandler14isMoviePresentERK13MetaDataTableb+0x180) [0x568280]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN17MicrographHandler17cullMissingMoviesERKSt6vectorI13MetaDataTableSaIS1_EEi+0xe6) [0x568dc6]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(_ZN13MotionRefiner4initEv+0x56f) [0x49e1ff]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi(main+0x31) [0x42a5e1]
/lib64/libc.so.6(__libc_start_main+0xf5) [0x2b7ac026e495]
/prog/relion-devel-lmb/bin/relion_motion_refine_mpi() [0x42b3cf]
==================
biochem-fan commented 3 years ago

--gpu 0:1:2:3 or just --gpu "" (by default RELION uses all GPUs).

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