Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Nicholas M Glykos
Hi Bernhard, Maybe the paranoia-checkers in windows slow everything down although I did not see any resources overwhelmed... I wonder whether the windoze refmac binaries can be used through wine in a GNU/Linux environment. If yes, then you could possibly differentiate between the

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Nicholas M Glykos
Hi Nat, one of my colleagues found (on Linux) that the exp() function provided by g77 was 20-fold slower than the equivalent in the Intel math library. I do not know whether this has recently been changed, but the license for icc-produced executables used to be rather restrictive. If I

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Ian Tickle
I do not know whether this has recently been changed, but the license for icc-produced executables used to be rather restrictive. If I remember correctly, you were not allowed to distribute the binaries, full stop. Nicholas, this restriction applies (and has always applied) only to Intel's

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Harry Powell
Hi I suspect that this is more to do with the amount of memory required, size of arrays etc; refinement will (in general) be more demanding in terms of these than an integration program like Mosflm. The last time I compared the Mosflm performance (which was a few years ago), running the

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Nikolaos Glykos
Hi Ian, Nicholas, this restriction applies (and has always applied) only to Intel's 'evaluation' licence That's right. With a cost of $9,997.00 for a 3-years/2-seats academic license, I couldn't have been talking for anything else ... :-))) All the best, Nicholas -- Nicholas

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Ben Eisenbraun
On Sun, Apr 08, 2012 at 03:59:22PM +0300, Nikolaos Glykos wrote: Nicholas, this restriction applies (and has always applied) only to Intel's 'evaluation' licence That's right. With a cost of $9,997.00 for a 3-years/2-seats academic license, I couldn't have been talking for anything else ...

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Ian Tickle
That's right. With a cost of $9,997.00 for a 3-years/2-seats academic license, I couldn't have been talking for anything else ... :-))) Hi Nicholas That sounds like way more than it should be, in fact it sounds like you've been quoted the cost of the commercial licence and then some! From

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

2012-04-08 Thread Nikolaos Glykos
Hi Ian, That sounds like way more than it should be, in fact it sounds like you've been quoted the cost of the commercial licence and then some! From Intel's website the academic licence for icc (Linux/2 seats) is $570 incl 1 year's support. Renewal of support for subsequent years will be less

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-08 Thread James Holton
On 4/2/2012 6:03 AM, herman.schreu...@sanofi.com wrote: If James Holton had been involved, the fabrication would not have been discovered. Herman Uhh. Thanks. I think? Apologies for remaining uncharacteristically quiet. I have been keeping up with the discussion, but not sure how much

[ccp4bb] [OT] to CCP admin - CCP14 - who's in charge?

2012-04-08 Thread Bernhard Rupp (Hofkristallrat a.D.)
Dear CCPx administrators: I just notice that on /www.ccp14.ac.uk/ccp/web-mirrors/llnlrupp/cvs/Rupp/rupp.html a deprecated web page from the early 2000s (!) that causes confusion exists on a mirror of the LLNL site dead since 2005. I cannot find a responsible contact for CCP14 since Lachlan's

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-08 Thread aaleshin
Since I was the person who started a public outcry to do something, I shell explain myself to my critics. Similarly to all of you, I do not care much about those few instances of structure fabrication. I might put too much emphases on them to initiate the discussion, but they are, indeed, only

Re: [ccp4bb] [OT] to CCP admin - CCP14 - who's in charge?

2012-04-08 Thread Harry
Hi Bernhard CCP14 is (to all intents and purposes) defunct. It lost funding a couple of years after Lachlan left in the early 2000s. I'll supply William's e-mail off-board (or at least the last recent address I have) On 8 Apr 2012, at 20:48, Bernhard Rupp (Hofkristallrat a.D.) wrote:

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-08 Thread Bernhard Rupp (Hofkristallrat a.D.)
You never know when a forgotten slip of the mouse when using AutoDep ten years ago will come back to haunt you. On the paper James refers to and found the data, added mystery was that the postdoc who may have slipped disappeared w/o much of trace and the PI died. Dan was the only survivor. Still