Hi there,
I am attempting to run a TI calculation. However when I execute the
command, I get the following error
vivek.mtux1:~/Research/amber_MD_runs/ti_beta_g/1g/enzyme/charge-step1$
./ti.run
Running multisander version of sander Amber11
Total processors = 4
Number of groups = 2
Fatal error in PMPI_Bcast: Message truncated, error stack:
PMPI_Bcast(1302)......................: MPI_Bcast(buf=0x7fd88f2bb4b0,
count=47785, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
MPIR_Bcast(998).......................:
MPIR_Bcast_scatter_ring_allgather(849):
MPIR_Bcast_binomial(157)..............:
do_cts(490)...........................: Message truncated; 382496 bytes
received but buffer size is 382280
rank 2 in job 5 mtux1_37500 caused collective abort of all ranks
exit status of rank 2: killed by signal 9
I am running Amber11 on a Quadcore machine with Ubuntu 10.04
What could be the reason for the job failure?
--
Vivek S. Bharadwaj
Graduate Student
Department of Chemical and Biological Engg.
Colorado School of Mines
Golden Colorado
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 26 2012 - 10:30:03 PDT
