[gmx-users] REMD

Dongsheng Zhang dong at pampas.chem.purdue.edu
Thu Apr 13 07:06:52 CEST 2006

Dear gmx users:

I am trying to run REMD with two replicas (for testing). I used
grompp -f -c -p -o replica0 to get replica0.tpr
grompp -f -c -p -o replica1 to get replica1.tpr

then used 
mdrun_mpi -np 2 -multi -replex 500 -reseed -1 -s replica -deffnm replica
-v -N 2
to run it.

I got an error message "Segmentation fault" from my script output, but
no error message in both log files. When I tried to run individual tpr
file, it worked fine.

Could someone can comment why I got "Segmentation fault"? Thank you for
your help!


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