[gmx-users] FFT plan mismatch with mdrun_mpi

[Christian Blouin]

Hello, I'll first apologize in case that this is a common issue with
an available solution, but I have a problem running mdrun_mpi on a
rock cluster and there
is no amount of searching that I can do to find information on this
error (manual, online docs, general google search). Could someone
point me in the right direction for documentations?

The error is the following:

Program mdrun_mpi, VERSION 4.5.4
Source code file: gmx_fft_fftw2.c, line: 494

Fatal error:
FFT plan mismatch - bad plan or direction.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I'm trying to run a simple mdrun as per one of the tutorial online on
50 CPUs. I can provide more details, but I'm hoping that there is
already an answer to this question somewhere.

Regards,

Christian