[gmx-users] gmx_mpi command line in version 5.1.4

K. Subashini subashinik at hotmail.com
Tue Sep 19 17:06:15 CEST 2017

Hi gromacs users,

I am using version 5.1.4

How to use gmx_mpi?

I got the following error message

Executable:   /home/subashini/GPU/bin/gmx_mpi
Data prefix:  /home/subashini/GPU
Command line:
  gmx_mpi -v -deffnm eq

Program:     gmx_mpi, VERSION 5.1.4
Source file: src/gromacs/commandline/cmdlineparser.cpp (line 234)
Function:    void gmx::CommandLineParser::parse(int*, char**)

Error in user input:
Invalid command-line options
    Unknown command-line option -v
    Unknown command-line option -deffnm

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Halting program gmx_mpi
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

Kindly let me know how to fix it?



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