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From: KIRK, BENJAMIN (JSCEG) (NASA) <benjamin.kirk1@na...>  20051214 19:03:16

You might want to check out SLEPc, an interface on top op PETSc specifically for Eigenvalue problems. Stefan added an interface to it from libMesh some time ago, and he might have some comments on this thread too. Ben _____ From: libmeshusersadmin@... [mailto:libmeshusersadmin@...] On Behalf Of Michael Povolotskyi Sent: Wednesday, December 14, 2005 12:22 PM To: Roy Stogner; libmesh  ML Subject: Re: [Libmeshusers] Eigenvalue problem 1) Yes, I mean Hx = gSx, sorry for the error. 2) Does it mean that if one wants to use Libmesh just for one complex problem, then all the other problems also have to be complex? thank you, Michael. Roy Stogner wrote: On Wed, 14 Dec 2005, Michael Povolotskyi wrote: I have to solve an eigenvalue problem for a quantum physics calculations. My questions are: 1) Is it possible to solve a general eigenvalue problem like Hx = Sx, where H and S are known matrixes. Are you sure you don't mean Hx = gSx, where H and S are known but g is unknown? That's the generalized eigenvalue problem built into SLEPc, which is currently the only eigenvalue solve libMesh interfaces with. Our SLEPc support currently only handles the simple Hx = gx problem, and a new interface would have to be written to get generalized eigenvalues. 2) Is it possible to have complex (selfconjugated) matrixes? If both PETSc and libMesh have been compiled with complex number support on, then the default PetscScalar and libMesh Number types will both be std::complex<double>, and PETSc should handle the linear algebra appropriately. All my code is realvalued, though; I'm not sure who's keeping the libMesh complex number support up to date.  Roy Stogner   Michael Povolotskyi, Ph.D. University of Rome "Tor Vergata" Department of Electronic Engineering Viale Politecnico, 1  00133 Rome  Italy Phone + 39 06 72597781 Fax + 39 06 2020519 http://www.optolab.uniroma2.it/pages/moshe/moshe.html <http://www.optolab.uniroma2.it/pages/moshe/moshe.html>;   This SF.net email is sponsored by: Splunk Inc. Do you grep through log files for problems? Stop! Download the new AJAX search engine that makes searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! http://ads.osdn.com/?ad_id=7637&alloc_id=16865&op=click _______________________________________________ Libmeshusers mailing list Libmeshusers@... https://lists.sourceforge.net/lists/listinfo/libmeshusers 
From: Roy Stogner <roystgnr@ic...>  20051214 18:47:33

On Wed, 14 Dec 2005, John Peterson wrote: > Michael Povolotskyi writes: > > 2) Does it mean that if one wants to use Libmesh just for one complex > > problem, then all the other problems also have to be complex? <br> > > Well, if you have enough disk space, you could have a libmesh_complex > build in a separate directory which is separate and only used for > complex problems. Wouldn't you also need a separate petsc_complex build, and scripts (like the "module load petsc/some_version" we use in CFDlab) to switch around the environment variables PETSc uses? It's not a good solution, but I don't think it'll change any time soon. We could build libMesh with simultaneous Real/Complex support just by adding another template argument to everything which isn't already templated around datatype... but PETSc is C and Fortran, and making that simultaneously compile with multiple datatypes would be pretty tedious.  Roy 
From: John Peterson <peterson@cf...>  20051214 18:38:11

Michael Povolotskyi writes: > 2) Does it mean that if one wants to use Libmesh just for one complex > problem, then all the other problems also have to be complex? <br> Well, if you have enough disk space, you could have a libmesh_complex build in a separate directory which is separate and only used for complex problems. J 
From: Michael Povolotskyi <povolotskyi@in...>  20051214 18:22:29

<!DOCTYPE html PUBLIC "//W3C//DTD HTML 4.01 Transitional//EN"> <html> <head> <meta content="text/html;charset=ISO88591" httpequiv="ContentType"> <title></title> </head> <body bgcolor="#cccccc" text="#000000"> 1) Yes, I mean Hx = gSx, sorry for the error.<br> 2) Does it mean that if one wants to use Libmesh just for one complex problem, then all the other problems also have to be complex? <br> <br> thank you,<br> Michael.<br> <br> <br> <br> Roy Stogner wrote: <blockquote cite="midPine.LNX.4.63.0512141154180.4247@..." type="cite">On Wed, 14 Dec 2005, Michael Povolotskyi wrote: <br> <br> <blockquote type="cite">I have to solve an eigenvalue problem for a quantum physics calculations. <br> My questions are: <br> 1) Is it possible to solve a general eigenvalue problem like Hx = Sx, <br> where H and S are known matrixes. <br> </blockquote> <br> Are you sure you don't mean Hx = gSx, where H and S are known but g is <br> unknown? That's the generalized eigenvalue problem built into SLEPc, <br> which is currently the only eigenvalue solve libMesh interfaces with. <br> Our SLEPc support currently only handles the simple Hx = gx problem, <br> and a new interface would have to be written to get generalized <br> eigenvalues. <br> <br> <blockquote type="cite">2) Is it possible to have complex (selfconjugated) matrixes? <br> </blockquote> <br> If both PETSc and libMesh have been compiled with complex number <br> support on, then the default PetscScalar and libMesh Number types will <br> both be std::complex<double>, and PETSc should handle the linear <br> algebra appropriately. All my code is realvalued, though; I'm not <br> sure who's keeping the libMesh complex number support up to date. <br>  <br> Roy Stogner <br> <br> </blockquote> <br> <br> <pre class="mozsignature" cols="250">  Michael Povolotskyi, Ph.D. University of Rome "Tor Vergata" Department of Electronic Engineering Viale Politecnico, 1  00133 Rome  Italy Phone + 39 06 72597781 Fax + 39 06 2020519 <a class="moztxtlinkfreetext" href="http://www.optolab.uniroma2.it/pages/moshe/moshe.html">http://www.optolab.uniroma2.it/pages/moshe/moshe.html</a>;  </pre> </body> </html> 
From: Roy Stogner <roystgnr@ic...>  20051214 18:10:35

On Wed, 14 Dec 2005, Michael Povolotskyi wrote: > I have to solve an eigenvalue problem for a quantum physics calculations. > My questions are: > 1) Is it possible to solve a general eigenvalue problem like Hx = Sx, > where H and S are known matrixes. Are you sure you don't mean Hx = gSx, where H and S are known but g is unknown? That's the generalized eigenvalue problem built into SLEPc, which is currently the only eigenvalue solve libMesh interfaces with. Our SLEPc support currently only handles the simple Hx = gx problem, and a new interface would have to be written to get generalized eigenvalues. > 2) Is it possible to have complex (selfconjugated) matrixes? If both PETSc and libMesh have been compiled with complex number support on, then the default PetscScalar and libMesh Number types will both be std::complex<double>, and PETSc should handle the linear algebra appropriately. All my code is realvalued, though; I'm not sure who's keeping the libMesh complex number support up to date.  Roy Stogner 
From: Michael Povolotskyi <povolotskyi@in...>  20051214 17:41:00

<!DOCTYPE html PUBLIC "//W3C//DTD HTML 4.01 Transitional//EN"> <html> <head> <meta content=3D"text/html;charset=3DKOI8R" httpequiv=3D"ContentType= "> <title></title> </head> <body bgcolor=3D"#cccccc" text=3D"#000000"> Dear Libmesh developers,<br> I have to solve an eigenvalue problem for a quantum physics calculations.<br> My questions are:<br> 1) Is it possible to solve a general eigenvalue problem like Hx =3D Sx, where H and S are known matrixes.<br> 2) Is it possible to have complex (selfconjugated) matrixes?<br> <br> Thank you,<br> Michael.<br> =9A<br> </body> </html> 