We are trying out google group http://groups.google.com/group/qmcpack

"Fully accelerating quantum Monte Carlo simulations of real materials on GPU clusters," was accepted as a peer-review article in  Computing in Science and Engineering. The preprint is available at CISE site.

I tried to give PGI compilers another chance but they really make it hard.

What C++ compiler does not have std::abs(double)? Apparently, PGI doesn't.

        more than one instance of overloaded function "std::abs" matches the
          argument list:
            function "abs(int)"
            function "std::abs(long)"
            function "std::abs(long double)"
            argument types are: (double)

While I'm not using eclipse as my development tool, I see a lot of potential of eclipse for HPC community. Inspired by the eclipse PTP (Parallel Tools Platform, http://www.eclipse.org/ptp/) development, I started a plugin project for QMCPACK document  http://code.google.com/p/qmcpack-doc/.

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Post any publication you want to share at Talks and papers

Sample documentations generated by commercial tools.

altova:
http://web.archive.org/web/20050205063729/xml.comp-phys.org/doc/QMCXML/

oxygen:
http://www.oxygenxml.com/xml_schema_documentation.html

A binary using r4648 is available on the project spaces for production runs.

On Jaguar
/ccs/proj/mat001/xt5/qmcapp_xt5_r4648_20100223

On Kraken
/nics/a/proj/qmc/bin/qmcapp_xt5_r4648_20100223

When no estimator is defined in a qmc section, LocalEnergyEstimator using ascii data format is used.

Ken's summary of the discussion on Feb/19.

1)  Add a "wizard" utility to wfconv that will generate XML input with
all possible parameters with reasonable defaults.
2)  Fix as much as possible within QMCPACK itself, including aborting
on inconsistent data, parameters
    outside the allowed range, etc.
3)  Tightening up the parsing of attributes and parameters to balk at
unrecognized parameters.
4)  Introducing a "help" utility which gives possible parameters and
attributes for elements.
5)  Removing case sensitivity or agree on case conventions.