DMFT-MPI Home Page

This page is intended to inform about current and former releases, available platforms, necessary libraries and current benchmarks for the MPI version of the DMFT-QMC (dynamical mean field theory, treated with quantum monte carlo) program. At present, the code itself is not public; therefore all links to the code are local.

Authors
serial version: Martin Ulmke (original author)
Karsten Held (general AB phases, reorganisation)
Nils Blümer (F-term)
Jan Schlipf (t-t' hopping, reorganisation)
Joachim Wahle (reorganisation)
parallel version: Nils Blümer

Features

... to be filled ...

Release notes

Current version is 1.0 (17 Sep 1999): DMFT-MPI.uum, DMFT-MPI.F, libDMFT-MPI.F (all links local)

General remarks about distribution method

The program is distributed as a single file, which is a compressed, uuencoded, and self-executing tar-file. After download the file has to be made executable (chmod +x filename) and executed (./filename). This invokes uncompression of all necessary files into the present directory and starts compilation for the detected platform. Up to comments the header of the distribution file looks like this: 
#!/bin/csh -f
uudecode $0
chmod 644 DMFT-MPI.tar.gz
gunzip -c DMFT-MPI.tar.gz | tar -xvf -
rm $0 DMFT-MPI.tar.gz
./Configure > options.arch
make
exit
The script named Configure holds informations relevant to compilation and linking of Fortran programs about all platforms on which the program has been tested. It is intended to be universal in the sense that it can also be used for other projects.

The variables defined in Configure are used in the Makefile which is also easy to generalize.

Available platforms

The program has been tested on

Compilation

The program contains several compiler macro-variables (which are usually set by the Makefile in the form -D<VARNAME> or -D<VARNAME>=<VALUE>)

Usage

The program expects input on stdin, and outputs results to stdout, several files with names of the form <run-prefix>.<type-suffix>, and input.tmp; the run-prefix is set from the input on stdin. If an old self energy is to be used as initialization, it is expected in the file <run-prefix>.self.in. An example for valid input (run-prefix=MPI_L050) is here. The serial version of the program (compiled without MPI) is interactively run as follows (e.g., on our RS/6000 cluster): DMFT-MPI < <run-prefix>.in > <run-prefix>.out The code is run as follows (provided, executable DMFT-MPI is in path); <numproc:> is the number of processors required:

Benchmarks

time vs problem size speed vs problem size
(click to enlarge, also as table)

For optimal memory management the compiler variable LMAX has been chosen equal to the problem sizes (number of time slices) L=50,80,116,200. Using converged self energies for input, the fact that small variations are observed also validates the code. More information about the input is given here.

Available computing resources

Nils Blümer
Last changed: [an error occurred while processing this directive] 01-Oct-13 11:26