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From Roald Hoffmann to his researchers, 5/28/2014:

Cornell Advanced Computing (CAC) RedCloud service (11/9/2015):

See also

Cluster support matrix:

Who is responsible?

Level

Older cluster
set-ups

Contemporary cluster
set-ups
"latest versions" refers to versions available at the date of set-up.

Notes

Stack order

Research group member only

Applications: running within a user's directory

 

 

What will run on contemporary OS?

10C

Research group (designated member)

Applications: Research software, residing in research group's shared directory

 

xtaloopt, phonop

xtaloopt, phonop 

What will run on contemporary OS?

10B

ChemIT

Research applicationsApplications: Select research software, residing in ChemIT-designated directory

GuassianGaussian, ADF Guassian

Gaussian, ADF

Q: Are these the correct applications?
Remove or add any in which there is an economy for ChemIT to be responsible?

10A

ChemIT

Compiler applications: Select software, residing in ChemIT-designated directory

Intel compiler, using ChemIT-managed license server.

Intel compiler, using ChemIT-managed license server.

What will run on contemporary OS?

9

ChemIT

System applications: Provisioning web interface to cluster services

WebMO (old version)

WebMO (latest version)

Collum's only? ,

8

ChemIT

System applications: Job queuing and scheduling systems

Maui/ Torque
(old version)

Maui/ Torque
(latest version)

 

7

ChemIT

Compute node provisioning

Perceus

Warewulf

 

6

ChemIT

Monitoring tools 

RAID controller card monitoring (hard disk monitoring)

RAID controller card monitoring (hard disk monitoring)

 

5

ChemIT

Versioning tools

Back In Time

Back In Time

Optional

4

ChemIT

Backup software (not just versioning!)

 EZ-Backup (off-site)

EZ-Backup (off-site)

Optional?

3

ChemIT

Operating System (OS)

Fedora 13 (or 9 and 11!)

CentOS 6

 

2

 

 

Scheraga , (matrix; migrating from)
Lancaster (planning to upgrade)
Loring (Fedora 9)
Abruna (Fedora 11)

Scheraga (matrix; migrating to)
Collum
Hoffmann (sol)
Widom (via Chemistry Community Computer Cluster (C-4) head node; to migrate to own head node)

Migration in progress:
Scheraga.
On deck for upgrading to contemporary set-ups:
Lancaster

1

Cluster or
computational computer

Research group's software installer and maintainer
(see above chart)

Notes

Scheraga

Various, including historically Czerek

Gia is group's point lead for the upgrade project

Lancaster

Kyle

 

Lancaster: Crane

Who?

 

Hoffmann

3/19/14: Who now?
Have 2 new applications to install. Plus update VASP.

Was Andreas. Who now?

Freed (Eldor)

Who?

Single Linux system

Baird (name?)Who?2 Windows servers

Define "responsible"

Group which selects, installs (compiles, if necessary), debugs, maintains, updates, and otherwise keeps software functional. Finds alternatives. Secures resources to make work, and otherwise "owns" the problem.

Others can assist and consult and provide "best effort" services. For example, ChemIT will require research groups to confirm the operation of new installations. And research groups may benefit from having ChemIT look over problems the research group is having with their software.

Conversations with Oliver

Group

Representative

Date, notes

Crane

Brian

11/26/13, Tues. Initial briefing. No concerns expressed at this time.

Hoffmann

Roald

11/25/13, Mon.
Oliver to write up note for Hoffmann's group re: applications in users' home directories.

Issues

  • Version neglect makes support harder over time, for any of these layers.
  • Impact on research when software (1) updates, or (2) upgrades.

Other language used to hopefully help clarify roles and responsibilities related to software on the research clusters

(1)  Application software your researchers install on the cluster should not go in the home directories. Instead, software should be installed in:

(Example: /home/hoffmann/bin)

This will increase efficiency and robustness.

Details:

Using the cited shared directory makes it easier for other researchers to use already installed software. And as people leave the group, and new people arrive into the group, their home directories won't have software others depend on. For these reasons, if Lulu is asked to assist in application installation, configuration, or use, I would appreciate your support and understanding that she cannot afford to do so for software installed in people's cluster home directories.

(2) Your researchers are responsible for installing, configuring, and knowing how to effectively use any research application they use. They can request assistance from Lulu, but only after they have made a good-faith effort to learn and try to fix their problem themselves. This way Lulu can contribute to expanding a researcher's knowledge of something they are responsible for understanding, even as she assist them in getting things working, with their active involvement.

I have drafted a page listing the research applications (and related software) on your cluster, identifying explicitly the software your researchers are responsible for installing (including compiling) and maintaining:

https://confluence.cornell.edu/x/ogNpDw

Details:

The page also lists, for completeness and clarity, application software ChemIT (through Lulu) is responsible for installing (including compiling) and configuring. (For added clarity, that software is installed elsewhere on your cluster; see page for directory details.) Even for software ChemIT is responsible for installing, researchers still have the responsibility to know how to effectively use the software, to confirm it works correctly (and helping characterize the problem when it doesn't), and for thoughtfully responding to requests related to our debugging efforts of that software to meet your researchers' needs.