Dear Prof. Dac:
I am not sure that set up pass all the parallel test as the administrative
person left the lab who installed
amber 10. But sander.MPI was running fine with different mdin and other
files. Also in bin directory there are sander.LES, sander.LES.MPI and
sander.MPI executables but no sander.PIMD.MPI.
It was complied on the gcc compiler. For your convenience I am attaching the
config.h, config_amber.h and configure_amber files.
Thanking you,
Shubhra
Does your setup pass the parallel test suite? Knowing that helps us
> distinguish between generic problems and problems specific to your
> particular
> job.
>
> We will also want to know what flags you gave to the configure_amber
> script,
> and which compilers you are using.
>
> ....dac
>
>
> Dear Amberians:
>
> We have a sun cluster system of sun fire x4150 server with a master node
> and 4 compute node and mpi for parallel process with Amber 10. When we run
> sander.MPI we got the following error:
>
>
> Fatal error in MPI_Allgather: Invalid communicator, error stack:
> MPI_Allgather(865): MPI_Allgather(sbuf=0x2a955a5f30, scount=8415,
> MPI_DOUBLE_PRECISION, rbuf=0x5d748f0, rcount=8415, MPI_DOUBLE_PRECISION,
> comm=0x0) failed
> MPI_Allgather(771): Invalid communicator[cli_0]: aborting job:
> Fatal error in MPI_Allgather: Invalid communicator, error stack:
> MPI_Allgather(865): MPI_Allgather(sbuf=0x2a955a5f30, scount=8415,
> MPI_DOUBLE_PRECISION, rbuf=0x5d748f0, rcount=8415, MPI_DOUBLE_PRECISION,
> comm=0x0) failed
> MPI_Allgather(771): Invalid communicator
>
> I am also attaching the input file and various other files with which the
> error is associated.
>
> Thank You,
> Shubhra
>
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Received on Tue Jul 27 2010 - 21:30:05 PDT
