[gmx-developers] restarting a parallel tempering from cpt files

Carlo Camilloni carlo.camilloni at gmail.com
Wed Oct 5 18:25:17 CEST 2011

Dear All,

I am experiencing a problem with GMX4.5.5, when I try to restart parallel tempering (that was running with GMX4.5.4) from CPT files,
gromacs stops with 

 *** An error occurred in MPI_Allreduce
 *** on communicator MPI_COMM_WORLD
 *** MPI_ERR_COMM: invalid communicator
 *** MPI_ERRORS_ARE_FATAL (your MPI job will now abort)

this do not happen if:
- I restart without cpt files
- I restart using only 1 processor per replica


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