[gmx-users] gromacs error in vacuum preparation simulation

[Mario Andres Rodriguez Pineda]

Hi everybody
I want to do one dynamic simulation of one protein
i'm try to minimize the protein in vacum before the simulation runing but
gromacs send me this error:
-------------------------------------------------------
Program:     gmx grompp, version 2018.6
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 1991)

Fatal error:
There was 1 error in input file(s)

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
this is the command that i use for minimization in vacum.
gmx_mpi grompp -f vacuum.mdp -c cbd212_box.gro -p topol.top -o
cbd212_vac.tpr -maxwarn 1


I can't find the solution for this problem.

Thanks for your help
-- 
*MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
*Estudiante Doctorado en Biotecnología*

*UNAL- MEDELLÍN/ IQ- USP*

*Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas *
*Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091
1475*