[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?


Thanks,

Subashini.K


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