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.