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Processing times from automated workflow examples

This page contains the amount of compute time for various stages of data processing using each workflow along with the compute node configuration.

Workflow v1 applied to GPCR datasets

Processing times in hours for each dataset processed on a node featuring an AMD Threadripper Pro 5975WX CPU, 2× NVIDIA RTX 4090 GPUs, and 256 GB DDR4 ECC RAM (3200 MT/s). Two 4 TB WD Black SN850X NVMe SSDs in RAID 0 were utilized for CryoSPARC’s internal particle caching system, while raw movies and motion corrected micrographs were stored on a large ZFS HDD array accessed via 10 Gb Ethernet. Times are shown for each stage of processing, as well as the total run time. For five datasets, times are also shown for preprocessing and RBMC stages using an 8-GPU server (grey), showing that 2-3x speedup in these stages is possible and an overall speedup of up to 1.7x by using additional hardware.

Timings in this table are as of CryoSPARC v4.7

EMPIAR Entry
Preprocessing
Picking
Particle Curation
Final Refinements
RBMC
Total
# of movies
Movie shape

10346

3.7

0.6

3.3

1.0

2.7

11.3

2,059

4092 x 5760

10359

6.2

1.0

5.3

3.2

5.8

21.5

3,167

4092 x 5760

10361

1.8

0.6

3.6

1.2

2.2

9.4

1,013

4092 x 5760

(8-GPU)

0.7

1.5

7.6

10673

9.8

0.9

6.3

2.6

6.3

25.9

5,734

4092 x 5760

11352

4.2

0.5

3.6

1.1

1.9

11.3

2,864

4092 x 5760

10288

2.5

0.7

3.7

1.7

2.3

10.9

2,753

3710 x 3838

10853

17.9

2.5

13.0

9.7

16.5

59.6

12,299

4092 x 5760

(8-GPU)

6.7

9

40.9

10854

8.0

1.4

6.0

2.6

4.6

22.6

5,359

4092 x 5760

10855

14.3

2.0

11.1

7.5

14.3

49.2

9,765

4092 x 5760

(8-GPU)

5.4

7.7

33.7

10856

8.3

1.7

8.1

3.6

8.3

30.0

5,759

4092 x 5760

10936

17.0

1.5

6.3

2.3

11.1

38.2

7,518

8184 x 11520

(8-GPU)

6.4

8.6

25.1

11119

16.1

1.7

5.7

2.3

7.3

33.1

11,241

4092 x 5760

11350

5.5

0.9

4.9

1.3

2.5

15.1

4,140

4092 x 5760

11435

14.8

1.1

5.0

1.6

7.8

30.3

6,816

8184 x 11520

11448

9.1

1.1

5.8

2.0

18.3

36.3

3,916

8184 x 11520

11474

19.7

1.2

6.6

5.7

30.6

63.8

8,330

8184 x 11520

11432

21.8

1.0

6.2

2.5

10.8

42.3

8,874

8184 x 11520

11433

15.4

1.6

9.5

4.3

33.0

63.8

6,772

8184 x 11520

11134

15.6

1.4

10.6

2.6

9.0

39.2

6,846

8184 x 11520

11135

35.9

2.2

13.3

1.2

13.1

65.7

14,634

8184 x 11520

(8-GPU)

13.9

9.3

39.9

11136

14.7

1.3

9.4

1.6

9.6

36.6

5,818

8184 x 11520

Workflow v2 applied to CAK datasets

Processing times in hours for each dataset processed on a node featuring an AMD EPYC 75F3 CPU, 8× NVIDIA RTX A100 (40GB) GPUs, and 512 GB DDR4 ECC RAM (3200 MT/s). Two 8 TB WD Black SN840 NVMe SSDs in RAID 0 were utilized for CryoSPARC’s internal particle caching system, while raw movies and motion corrected micrographs were stored on a large ZFS HDD array accessed via 10 Gb Ethernet. We utilized parallelization across resources where possible; Patch Motion Correction (8 GPUs), Patch CTF Estimation (8 GPUs), Particle Extraction (2 GPUs) and Reference Based Motion Correction (6 GPUs). For EMPIAR-11823e and 11823f, particle stacks were initially processed separately (requiring 16.1 and 16.6 hours, respectively) before being merged. We anticipate that total processing time for these combined datasets would align with 11793 or 11807 given the similar movie and particle counts. Average processing times across all datasets were approximately 21 hours.

Timings in this table are as of CryoSPARC v5.0

EMPIAR Entry
Preprocessing
Picking
Particle Curation
Final Refinements
Total
# of movies
Movie shape

11800

3.1

1.7

7.0

6.0

17.8

5,805

4096 x 4096

11793

4.5

2.5

9.6

6.7

23.3

9,118

4096 x 4096

11799

2.7

1.7

7.5

5.2

17.1

5,780

4096 x 4096

11807

5.6

2.7

9.6

7.1

25.0

10,017

4096 x 4096

11823a

3.4

1.6

7.8

5.9

18.7

5,729

4096 x 4096

11823b

2.8

1.6

8.6

4.8

17.8

5,583

4096 x 4096

11823c

3.0

1.4

7.3

5.3

17.0

5,210

4096 x 4096

11823d

3.0

1.5

7.4

5.9

17.8

5,203

4096 x 4096

11823ef

5.2

3.0

14.5

10.0

32.7

10,597

4096 x 4096

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