[molpro-user] MOLPRO GPU Support.

Hans-Joachim Werner werner at theochem.uni-stuttgart.de
Sun Jan 3 14:10:03 GMT 2010

We are working on a DFT implementation using CUDA and already
get very good speedups. But this is not yet available in the
distributed MOLPRO version. Actually, I am looking for a PHD
student or a postdoc to extend this work. He/she should be
experienced in C++ programming and should have at least a basic
knowledge of CUDA or OpenCl. The work is done within the SimTech
Cluster of Excellence (http://www.simtech.uni-stuttgart.de/).
If anybody is interested please send an application to me!

Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 64400
Fax.: (0049) 711 / 685 64442
e-mail: werner at theochem.uni-stuttgart.de

Am 02.01.2010 um 17:49 schrieb Louis-Frédéric Feuillette:

> Hello all,
> Does MolPro have any support for GPU computation?  ATI Stream or  
> CUDA or OpenCL?
> -- 
> Louis-Frédéric Feuillette <jebnor at gmail.com>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

More information about the Molpro-user mailing list