Re: [AMBER] Error in unit 9 inpcrd file

From: case <>
Date: Mon, 18 Jul 2011 07:46:53 -0400

On Sun, Jul 17, 2011, KIRTANA S wrote:

> Error message:
> forrtl: severe (64): input conversion error, unit 9, file
> Fatal error in PMPI_Bcast: Other MPI error, error stack:

First: try a serial run, since the error seems to arise on an MPI_Bcast call.
This will help narrow down the problem.

Second: if you haven't done so, be sure to run the parallel test cases. How
many threads are you requesting in the job that fails?

Third, review how you created these files. Is the first integer at the top
of the prmtop file "7502"? If not, you have a mismatch in the number of atoms
in the coordinate and prmtop files (but amber is supposed to check for this.)

...good luck...dac

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Received on Mon Jul 18 2011 - 05:00:02 PDT
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