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Guide to using CryoSPARC on DARWIN

CryoSPARC is an advanced software platform designed for cryo-electron microscopy (cryo-EM), playing a crucial role in research and drug discovery processes.

This document provides the user manual for CryoSPARC v4.3.1, which has been installed on DARWIN.

Start CryoSPARC master

CryoSPARC will be run in a screen mode at one of GPU node ( r1t00 with tesla_t4:1 in this example ). You need to remember which login node you are.

[(workgroup:user)@login01 ~]$ screen
[(workgroup:user)@login01 ~]$ salloc -p idle --gpus=tesla_t4:1 -N1 -n1 --cpus-per-task=4 --mem=200G --time=01:00:00
[(workgroup:user)@r1t00 ~]$ export CRYOSPARC_INSTANCE_DIR=$TMPDIR
[(workgroup:user)@r1t00 ~]$ vpkg_require cryosparc/4.3.1
[(workgroup:user)@r1t00 ~]$ cryosparcm start  # this start cryosparc_master and set up environment.

You will see below if cryoSPARC runs successfully. Please remember your username, password, and port name, as they are printed out.

Start CryoSPARC workstation and access web interface

Start new project or attach previous project

Attach previous project

Set number of GPU

Queue the job

Clicking the "Queue" button will load this job, and Slurm will queue the job on the GPU node.

Monitor job status

CPU job

You can also run CPU jobs in current setting.