Re: [AMBER] Running TI calculations on sander.MPI

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 26 Sep 2012 14:04:56 -0400

On Wed, Sep 26, 2012, Vivek Shankar Bharadwaj wrote:
>
> 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,

Please look at the output file (mdout) for the job to see if there is any
indication there of what is wrong.

....dac


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Received on Wed Sep 26 2012 - 11:30:03 PDT
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