Hi dac,
I found out that I was using the wrong topology and restart files for the
two md jobs of the group.
I was able to sort it out and it works fine now.
Thanks
On Wed, Sep 26, 2012 at 12:04 PM, David A Case <case.biomaps.rutgers.edu>wrote:
> 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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>
--
Vivek S. Bharadwaj
Graduate Student
Department of Chemical and Biological Engg.
Colorado School of Mines
Golden Colorado
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Received on Wed Sep 26 2012 - 12:00:02 PDT
