Hi Camilo, On Jan 27, 2011, at 7:19 AM, Camilo Andrés Jimenez Cruz wrote:
> Sorry, abrupt sending, > > the coulombtype is the same > > coulombtype = cut-off Is your cut-off actually 0.0 then? Carsten > > and constraints = all-bonds is the same. Any idea? > > 2011/1/27 Camilo Andrés Jimenez Cruz <camilo.jimen...@gmail.com> > Hi all! > > I am trying to run the dppc example located in > ftp://ftp.gromacs.org/pub/benchmarks/gmxbench-3.0.tar.gz, with the gpu > version of gromacs, when I run it I get > > WARNING: OpenMM does not support leap-frog, will use velocity-verlet > integrator. > > > ------------------------------------------------------- > Program mdrun_sg, VERSION 4.5.3 > Source code file: > /usr/src/redhat/BUILD/gromacs-4.5.3/src/kernel/openmm_wrapper.cpp, line: 555 > > Fatal error: > OpenMM supports only the following methods for electrostatics: NoCutoff (i.e. > rcoulomb = rvdw = 0 ),Reaction-Field, Ewald or PME. > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > > but when I compare the mdp file with the examples in > http://www.gromacs.org/Downloads/Installation_Instructions/Gromacs_on_GPUs > (impl_1nm, for example), the integrator is the same > > integrator = md > > -- > Camilo Andrés Jiménez Cruz > > > > > -- > Camilo Andrés Jiménez Cruz > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
