AceCloud uses your existing Amazon Web Services account for its compute power. If you don’t yet have an AWS account, register at this site. You will need to supply credit card details for billing purposes.
For the full AceCloud experience, including automatic execution on EC2 and transparent scaling to large numbers of simulations, the AceCloud client software must be installed on your workstation and configured to use your Amazon account. The AceCloud client is currently automatically installed when installing HTMD. Installation instructions can be found at this page.
AceCloud requires configuration before it can be used. Once the software is installed, run the command:
This will open two browser windows. In the first, complete any login prompt and then subscribe to the AceCloud Amazon Marketplace product. Follow the instructions in the termination window to obtain AWS access credentials from the page opened in the second window.
The AceCloud client runs ACEMD and Gromacs simulations on Amazon AWS resources. It performs all file copying and VM instantiation operations automatically - once configured with AWS access credentials the user does not need to interact directly with the AWS Console. The syntax for all AceCloud operations is given by:
AceCloud can run any ACEMD or GROMACS (version 5) simulation, subject to the following restrictions:
To submit a simulation to AceCloud, first, prepare the input in a directory, and then run:
acecloud --submit [group/name] [directory-name]
[group/name] is a two-level identifier for the simulation (example:
project2/run10). Regardless, the
submitted simulation is named using the absolute path of the submission directory. The simulation results will be
retrieved back to the submission directory, so multiple submissions from the same directory are not permitted.
Check the progress of simulations with:
This summarizes all simulations, grouped by project. Simulations will be in one of the following states:
PENDING: Simulation has yet to start running
RUNNING: Simulation is in progress
COMPLETED: Simulation has finished running and results are ready to retrieve
PREEMPTED: Simulation has terminated early due to spot market pre-emption of the AWS instance.
The output of a simulation becomes available once the job is complete. To retrive it, run:
acecloud --retrieve [group/name]
The output is automatically placed in the directory from which the input files were originally obtained. Original files be recreated if no longer there.
AceCloud (c) Acellera - no redistribution in whole or part Syntax: acecloud [--profile [config-profile]] [args]: --submit [group/name] [directory] [--spot | --ondemand] : --delete [group/name] : --status [group/name] : --retrieve [group/name] : --print-config : Show AWS configuration --print-spots : Show Current spot prices --profile [name] : Add to above to select AWS Config section in config file --costcode [code] : Used for tagging instances --setup : Perform first-time software setup --help This software requires a subscription to the AceCloud AWS Marketplace product available from https://aws.amazon.com/marketplace/pp/B01N3SBK3Z