Relaxation dispersion clustering calculation time

2014-09-09 Thread Chung-ke Chang
Dear all, This is my first post here, and I have a question regarding the time it takes for a relaxation dispersion clustering process to finish. I have one clustering calculation that has been running for ~ 20,000 min on a single Xeon 2.66 GHz core. The cluster consists of 13 residues being

Re: Relaxation dispersion clustering calculation time

2014-09-09 Thread Troels Emtekær Linnet
Hi Chung-ke. Can you put the information about which version of relax you use? You can in terminal do: relax -i and write it here. And then there is the question if you used data from one field or two spectrometer fields. Fitting to one field, can give problems. This is described here:

Re: Relaxation dispersion clustering calculation time

2014-09-09 Thread Chung-ke Chang
Dear Troels and Edward, Thank you for the pointers. I was not aware that a new version was out last week, so I’ve asked the IT people to install it on our cluster. Below is the output from ‘relax -i’: [chungke@nmrc10 onc_dAUGA_MES_310K]$ relax -i relax

Re: Relaxation dispersion clustering calculation time

2014-09-09 Thread Troels Emtekær Linnet
By the way. You can start a new analysis from the old results. I would do this. 1) Upgrade relax 2) Make backup with previous data 3) Start relax in GUI 4) Start a Relaxation dispersion analysis 5) Create the pipe 6) Then go to user functions - results - read 7) Point to the file results.bz2

Re: Relaxation dispersion clustering calculation time

2014-09-09 Thread Edward d'Auvergne
Hi Chung-ke, The only way to find out about new relax releases is the relax-announce mailing list (http://news.gmane.org/gmane.science.nmr.relax.announce). Some relax users were signed up for the freecode announcements (http://freecode.com/projects/nmr-relax), but freecode has unfortunately shut