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Bernie Santarsiero wrote:
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Has anyone set up CCP4-6.0 on a linux cluster? Any problems?
As an off-list question, what programs, can take advantage of a
multiprocessor server? I know that SHELX and XDS have MP options.
Bernie Santarsiero
[EMAIL PROTECTED]
Univ of Illinois at Chicago
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Hi Bernie,
at the moment, it is really only XDS that can make use of a cluster -
e.g. at the SLS, four Dual-Opterons can be reduced by one XDS job.
To make a program use a cluster, it must employ "shell-level"
parallelism (like XDS), or MPI/PVM (which no current xtallographic
program does that I know of). This will change with the ClusterOpenMP
Fortran/C/C++ compiler which is being released by Intel these days. A
"normal" OpenMP program (SHELXL) needs a multiprocessor computer to run,
like a Dual-Xeon with Hyperthreading (giving 4 threads) or similar.
HTH,
Kay
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
