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75 lines
3 KiB
HTML
75 lines
3 KiB
HTML
<html>
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<head>
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<title>PeIGS 3.0</title>
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<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
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</head>
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<body bgcolor="#FFFFFF">
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<h2><i><font color="#FF0000">Parallel
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Eigensolver for Dense Real Symmetric Generalized and Standard
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eigensystem problems</font></i></h2>
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<h2><i><font color="#FF0000">PeIGS 3.0 Parallel
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Performance</font></i></h2>
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<table width="92%" border="0" height="194">
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<tr>
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<td width="70%">
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<p><font color="#0000A0" face="Times New Roman, Times, serif" size="3"><strong>Feature
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that are found together elsewhere:<br>
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</strong></font></p>
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<ul>
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<li><strong><font color="#0000A0" face="Times New Roman, Times, serif" size="3">Inverse iteration using Dhillon-Parlett-Fann's
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parallel algorithm (fast uniprocessor
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performance and good parallel scaling)</font></strong></li>
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<li><strong><font color="#0000A0" face="Times New Roman, Times, serif" size="3">Guaranteed
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orthonormal eigenvectors in the presence of large clusters of degenerate
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eigenvalues</font></strong></li>
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<li><strong><font color="#0000A0" face="Times New Roman, Times, serif" size="3">True Packed
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Storage</font></strong></li>
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<li><strong><font color="#0000A0" face="Times New Roman, Times, serif" size="3">Smaller
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scratch space requirements</font></strong></li>
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</ul>
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<p>
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</td>
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<td width="30%"><img src = "peigs.jpg" width="239" height="267"></td>
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</tr>
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<tr>
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<td width="70%"><font color="#0000A0" face="Times New Roman, Times, serif" size="3">Full
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eigensolution performed on a matrix generated in a charge density fitting
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procedure (966 fitting functions for a fluorinated biphenyl).</font></td>
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<td width="30%"> </td>
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</tr>
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</table>
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<p> </p>
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<h4><i><font color="#FF0000"> The research and prototype work was
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performed in part under the auspices of the Grand Challange
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Computational Chemistry Project of the High Performance Computing and
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Communications Program of the Office of Scientific Computing, U.S.
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Department of Energy under contract DE-AC066-76RLO 1830 with Battelle
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Memorial Institute which operates the Pacific Northwest National
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Laboratory.
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</font></i></h4> <h4><i><font><color="#FF0000"> Software
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support of PeIGS version 3 was supported by the U. S. Department of
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Energy under Contract DE-AC06-76RLO 1830 under EMSL operations. EMSL
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operations are supported by the DOE's Office of Biological and
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Environmental Research. The Pacific Northwest National Laboratory is
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operated by Battelle Memorial Institute.</font></i></h4>
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<h4><i><font><color="#FF0000"> Implementation of PeIGS version 1 and 2
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was supported by EMSL Construction Project WB4.5.3.1 in support of
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computational chemistry software under contract DE-AC066-76RLO 1830
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with Battelle Memorial Institute which operates the Pacific Northwest
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National Laboratory under DE-AC066-76RLO 1830 </font></i></h4>
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<h4><i><font color="#FF0000">
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Please e-mail your questions to <a href="mailto:fanngi@ornl.gov">fanngi@ornl.gov</a>
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</body>
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</html>
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