Bohr - bohr.chm.bris.ac.uk
NB bohr is obsolescent and has been replaced by curie. Accounts are no longer being created on bohr. Much of the information below is also relvant to curie.
For an account on this computer email chem-unix@bristol.ac.uk with your UoB username, name of supervisor and preferred login shell (if you have a preference).
For support email chem-unix@bristol.ac.uk.
Passwords- See this page for information about usernames and passwords on bohr.
Queuing system- bohr uses a queuing system for running jobs. See this page for important information about how it works.
Each year you will have to renew your account on bohr for it to
remain open. You will receive an email about this in January each year,
please reply to this email stating whether or not you wish your account
to remain open.
If/when you leave Bristol, please contact the system administrator and
provide a new email address so that you can continue on the bohr email
list.
Notice under the Data Protection Act
File storage space is provided on bohr solely for your research data and results. Private files should not be kept on bohr as they are not held confidentially. Access to your files will be provided to members of staff, and to others if the appropriate member of staff requests it.
The System
Bohr is a beowulf cluster, that is, a cluster of computers connected
together. The master computer is called the front end, the
others are called nodes. There are 42 nodes. You login to the
front end, which is used for compiling, editing files etc, not
for running jobs. Run jobs by submitting them to the queuing
system, which will distribute them among the nodes. The operating
system is linux.
The users' filestore is backed up nightly with a combination of full
and incremental backups. The full backup happens every 2-3 weeks at the
weekend and takes two days, so backup frequency is lower on those weekends.
There are 3 groups of nodes, but they are all connected to the same switch and can work together-
- 30 original nodes, comp00-comp29, with 2 Opteron 248 2.2 GHz processors each.
Nodes comp00-comp03 have 8 GB of RAM and 135 GB of scratch space in /tmp, also 52 GB of extra scratch space in /tmp2.
Nodes comp04-comp29 have 4 GB of RAM and 52 GB of scratch space in /tmp. - 4 nodes on loan from Fred Manby, comp30-comp33, with 2 dual core Opteron 275 2.2GHz processors each (ie 4 cores per node).
Each node has 8GB of RAM and 200GB scratch space. - 8 nodes purchased in December 2007, comp34-comp41, with 2 dual core Opteron 2216 2.4GHz processors each (ie 4 cores per node).
Nodes comp34-comp37 have 8GB RAM and 200GB scratch space.
Nodes comp38-comp41 have 16GB RAM and 400GB scratch space.
Remember that these are for the node as a whole, not for each job. For further information about allocation of memory
and scratch space to jobs, please see the queuing system page.
The Front End
Only secure shell connections will be accepted to this computer.
To map directories on bohr to a drive on a Windows system (within the department) use \\bohr\[your_username] or \\bohr\users or \\bohr\users1 as required. (This mechanism will always use your standard UOB username and password, no matter what your unix password is).
The front end is for editing files and compiling programs etc.
Run jobs by submitting them to the queuing system. Short tests may be
carried out on the front end (10-20 mins), anything longer must be
submitted to the queuing system. Tests and large compile jobs
on the front end MUST be run at low priority using nice -n 19 <command>
i.e. to run a program called a.out, use the command
nice -n 19 a.out
Processes running which fail to meet these requirements will be
killed.
There are two main shells available, bash (an extension to the Bourne shell) and tcsh (an extension to the C shell). If you wish your login shell changed, contact the system administrator.
- If you use tcsh, the system reads the files /etc/csh.cshrc
and then /etc/csh.login and then the files in your home directory
.tcshrc (or .cshrc if it is not there) and .login. Edit the files
in your home directory to customise your sessions. You can read
the system files to see what options have already been set. When
writing shell scripts you should note that the -f option does not
read .tcshrc, but will read .cshrc if it is there.
- If you use bash the system reads the files /etc/bash.bashrc and /etc/profile and then the files in your home directory .bash_profile .bashrc and .bash_login if they exist, or .profile if they do not. Edit the files in your home directory to customise your sessions. You can read the system files to see what options have already been set.
Note that bohr is a 64-bit system. It will run 32-bit binaries, but in that case you will not gain the advantage in speed of the 64-bit system. You should recompile your programs on bohr.
To ease transfer of files between grendel, dirac and bohr:
dirac's /home, /home2 and /home3 partitions are cross-mounted on bohr
as /dirac/dirac, /dirac/dirac2 and /dirac/dirac3.
grendel's /home, /home2, /home3, etc partitions are cross-mounted on
bohr as /grendel/grendel, /grendel/grendel2, /grendel/grendel3,
etc.
These are automounts, that is, they will automatically mount when
you try to access them, and unmount when you have finished.
- Some useful utility packages installed on the front end.
- The queuing system for running jobs on bohr.
- Programs available on bohr.