[gmx-users] Error: 'mdrun_mpi' is not a GROMACS command.
Asmaa El khodary
asma.moh_990 at aucegypt.edu
Tue Aug 18 16:06:47 CEST 2015
Hi,
I'm using same command but without gmx_mpi and it works.
On 18 Aug 2015 14:09, "anu chandra" <anu80125 at gmail.com> wrote:
> Dear Gromcas users,
>
> I just expericend an error while running mpi version of Gromcas on a 64
> processors in a cluster. The command I used for running mdrun is as
> follows,
>
> mpirun -ppn 16 -np 64 gmx_mpi mdrun_mpi -cpi eq1.cpt -deffnm eq2
>
>
> But, unfortunately the run terminated with following error message. Can
> anyone help me to figure out what is gone wrong here?
>
> -------------------------------------------------------
> Program: gmx_mpi, VERSION 5.0.5
> Source file: src/gromacs/commandline/cmdlinemodulemanager.cpp (line 408)
> Function: gmx::CommandLineModuleInterface*
>
> gmx::CommandLineModuleManager::Impl::processCommonOptions(gmx::CommandLineCommonOptionsHolder*,
> int*, char***)
>
> Error in user input:
>
> -------------------------------------------------------
> Program: gmx_mpi, VERSION 5.0.5
> Source file: src/gromacs/commandline/cmdlinemodulemanager.cpp (line 408)
> Function: gmx::CommandLineModuleInterface*
>
> gmx::CommandLineModuleManager::Impl::processCommonOptions(gmx::CommandLineCommonOptionsHolder*,
> int*, char***)
>
> Error in user input:
> 'mdrun_mpi' is not a GROMACS command.
> -----------------------------------------------------------------
>
>
> Many thanks
> Anu
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