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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
