[gmx-users] mdrun_command_not working in cygwin

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Mon Nov 24 10:02:02 CET 2014

Almost one year ago, on Sep 11 2013, you started installing
Gromacs 4.6.3 on cygwin and received some responses regarding
problems there. What happened with this installation, why
did you go back to the older Gromacs (4.5.4) version?


On 24.11.2014 06:17, Shahid Nayeem wrote:
> I have Gromacs 4.5.4 installed in my cygwin. Initially all the commands
> were working fine. But now I face problem on running mdrun command. When I
> run command mdrun_4.5.4 -v -s topol.tpr, this also runs but the output .trr
> .xtc generated has zero frames. I reinstalled my cygwin in between for some
> additional packages and I thought this problem might be because of this and
> so  I re installed my gromacs also but there also I face the same problem.
> I don't get any error message. I am attaching md.log and out put of md
> command file. Please give me I solution. I dont want to change the version
> of Gromacs as I have partially completed my work using this version.

BTW, the Gromacs versions below 4.6.7 (iirc) don't work in "normal"
tMPI mode on cygwin/64. You have to build a "real" MPI executeable
and run that.



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