[ccp4bb] SHELXL executables for Xenon quad-core macs / full-matrix refinement

- Protein crystallography

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- Protein purification
- Crystallisation

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Kabsch reference
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-05-07

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Subject: Kabsch reference recvd thx
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-05-07

Subject: SHELXL executables for Xenon quad-core macs / full-matrix refinement
From: Ulrich Genick genick {- at -} BRANDEIS {- dot -} EDU
Date: 2007-05-07

Hi,

has anybody compiled a SHELXL version with array sizes
suitable for full matrix refinement of small proteins.

I compiled a version with LM=3200000 JW=400000000 IM=200000 LU=4096

for a new quad core Xenon mac and the speeds I got were less impressive.

At the same time the precompiled versions from the SHELXL website ran
circles
around my older Athlon boxes.

My suspicion is that I did not use the best compiler or that I am not
using
the right optimizations, in particular, I have no idea what is the best
value for LU. The instruction in the SHELXL header file indicate
that one might have to play with this parameter...

So if anybody has played around with this and made executable
with a good compiler, I would love to get a copy.

Thanks,

Ulrich

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Kabsch reference
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-05-07

Next message:
Subject: Kabsch reference recvd thx
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-05-07