Folding@Clusters - Revision history

Ttphan21 at 17:57, 3 May 2025

2025-05-03T17:57:03Z

← Older revision		Revision as of 17:57, 3 May 2025
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	* After the configuration with the account token, run <code>systemctl restart fah-client</code> or <code>systemctl start fah-client</code>. The token connects the machines to the account and the machines will show up on the web browser.		* After the configuration with the account token, run <code>systemctl restart fah-client</code> or <code>systemctl start fah-client</code>. The token connects the machines to the account and the machines will show up on the web browser.
	* Now, you can choose FOLD ALL for the machines to start receiving works and folding. You can configure the machines straight from the web control.		* Now, you can choose FOLD ALL for the machines to start receiving works and folding. You can configure the machines straight from the web control.


	= Original notes from the cluster website about Folding@Clusters =		= Original notes from the cluster website about Folding@Clusters =

Ttphan21: F@H v8.4 instructions

2025-05-03T17:55:53Z

F@H v8.4 instructions

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 * [[Forcing checkpoints in GROMACS]]
 * [[Cluster:Using the F@C PBS script|Using the F@C PBS script]]
 = Original notes from the cluster website about Folding@Clusters =

Craigje at 19:06, 11 May 2020

2020-05-11T19:06:22Z

← Older revision		Revision as of 19:06, 11 May 2020
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	= Original notes from the cluster website about Folding@Clusters =		= Original notes from the cluster website about Folding@Clusters =

	Folding@Clusters		=== Folding@Clusters ===

	This software tool is designed to make high performance computational resources easily available to chemists and biologists for running simulations of large bio-molecules using open source molecular dynamics packages.		This software tool is designed to make high performance computational resources easily available to chemists and biologists for running simulations of large bio-molecules using open source molecular dynamics packages.

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	Folding@Clusters uses open source building blocks, such as the GROMACS molecular dynamics package and the LAM-MPI communications library, to provide the lowest-level functionality. Building on this foundation we construct a three-tier architecture: cluster, node, and science core, which provides a basis on which to abstract the process of performing a molecular dynamics simulation. This includes work unit preparation, distribution, and result aggregation, on a compute resource with arbitrary capabilities (CPU speed, CPU count, memory, etc.)		Folding@Clusters uses open source building blocks, such as the GROMACS molecular dynamics package and the LAM-MPI communications library, to provide the lowest-level functionality. Building on this foundation we construct a three-tier architecture: cluster, node, and science core, which provides a basis on which to abstract the process of performing a molecular dynamics simulation. This includes work unit preparation, distribution, and result aggregation, on a compute resource with arbitrary capabilities (CPU speed, CPU count, memory, etc.)

			= Other notes =


			* Team stats for 577 - give resource name as part of the config, so Whedon and layout are tracked separately
			* Init script: /etc/init.d/fahclient --help # Mostly it sits and runs, starts on reboot only on compute nodes

Craigje at 18:39, 11 May 2020

2020-05-11T18:39:01Z

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 * [[Checkpoint and Restarting|Checkpoint and Restarting]]
 * [[Forcing checkpoints in GROMACS]]
 * [[Cluster:Using the F@C PBS script|Using the F@C PBS script]]

Skylar at 18:42, 20 July 2005

2005-07-20T18:42:25Z

← Older revision		Revision as of 18:42, 20 July 2005
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	* [[Checkpoint and Restarting\|Checkpoint and Restarting]]		* [[Checkpoint and Restarting\|Checkpoint and Restarting]]
	* [[Forcing checkpoints in GROMACS]]		* [[Forcing checkpoints in GROMACS]]
			* [[Cluster:Using the F@C PBS script\|Using the F@C PBS script]]

Mccoyjo at 20:05, 21 June 2005

2005-06-21T20:05:38Z

← Older revision		Revision as of 20:05, 21 June 2005
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	* [[Checkpoint and Restarting\|Checkpoint and Restarting]]		* [[Checkpoint and Restarting\|Checkpoint and Restarting]]
			* [[Forcing checkpoints in GROMACS]]

Mccoyjo at 20:02, 1 June 2005

2005-06-01T20:02:27Z

← Older revision		Revision as of 20:02, 1 June 2005
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	* [[Checkpoint and Restarting\|~~CheckpointRestart~~]]		* [[Checkpoint and Restarting\|Checkpoint and Restarting]]

Mccoyjo at 20:01, 1 June 2005

2005-06-01T20:01:53Z

New page

* [[Checkpoint and Restarting|CheckpointRestart]]