[gmx-users] How can I increase maximum number of pulling step for energy minimization?

[Gwonchan Yoon]

Hi gromacs users:

I use gromacs 4.5.6 for energy minimization with steepest descent method
for ubiquitin pulling simulation with pulling step for applying
displacement. For that simulation, I should repeat pulling and minimization
process. I need 10^4 pulling step calculation to get fully unfolded
structure, but the calculation stops at 503 pulling step with follow error
message.


=====
Source code file: futil.c, line: 489

File input/output error:
abc.edr
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
Sorry!  You were supposed to get help about:
    mpi-abort
But I couldn't open the help file:
    /usr/local/share/openmpi/help-mpi-api.txt: Too many open files.  Sorry!
--------------------------------------------------------------------------
=====


I open the futil.c line: 489, and that line is as follows.


=====
gmx_file(buf);
=====


However, I cannot catch what should I change to that line.
If you have any ideas, please let me know.

Sincerely,

Chan