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

2012-04-10 Thread Marcin Wojdyr
On Sat, Apr 07, 2012 at 08:42:47AM -0700, Bernhard Rupp (Hofkristallrat a.D.) wrote: Something the developers might be interested in: The Refmac_5.6.0117 32-bit windows binaries run native on a win64 3-4x slower than those from the linux distribution run Thanks for benchmarking. If

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

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

2012-04-07 Thread Bernhard Rupp (Hofkristallrat a.D.)
Something the developers might be interested in: The Refmac_5.6.0117 32-bit windows binaries run native on a win64 3-4x slower than those from the linux distribution run **in a RHEL6.2-64 VMware virtual machine hosted the same windows7/64 system.** VM/RHEL: Refmac_5.6.0117: End of

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

2012-04-07 Thread Roger Rowlett
I don't know the state of current software, because I haven't tried recently, but when I set up my student crystallography workstations a few years back I noticed many packages (e.g. EPMR, Phaser) that had potentially long run times (where it is really noticeable) would run on the identical

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

2012-04-07 Thread Nat Echols
On Sat, Apr 7, 2012 at 9:50 AM, Roger Rowlett rrowl...@colgate.edu wrote: I don't know the state of current software, because I haven't tried recently, but when I set up my student crystallography workstations a few years back I noticed many packages (e.g. EPMR, Phaser) that had potentially