Search Results for "checkpoint"

...For the newest releases of DMTCP, please go to: https://github.com/dmtcp/dmtcp Among the applications supported by DMTCP are MPI (various implementations), OpenMP, MATLAB, Python, Perl, R, and many programming languages and shell scripting languages. With the use of TightVNC, it can also checkpoint and restart X-Window applications. The OpenGL library for 3D-graphics is supported through a special plugin. It also has strong support for HPC (High Performance Computing) environments, including MPI and SLURM, through the github MANA project: https://github.com/mpickpt/mana

PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. ...