AMBER Archive (2009)

Subject: RE: [AMBER] test/amoeba - forrtl: severe (64): input conversion error

From: Tomasio, Susana (S.M.T.Tomasio_at_warwick.ac.uk)
Date: Wed Apr 08 2009 - 11:02:48 CDT

Hi Wei

Thanks for your suggestion. I'll try that. In the mean time I run Run.amoeba in another machine and then I tried
to run sander with the following command:

 /software/amber/intel/amber10/exe/sander.MPI -O -i mdin -o test.out -p jac_2.prmtop -c jac.xyz -r jac.rst

And I got similar error: (I'm probably missing something here, but I can't figure out what!)

[fe1:15545] Error obtaining unique transport key from ORTE (orte_precondition_transpots not present in the environment)
forrtl: error (69): process interrupted (SIGINT)
Image PC Routine Line Source
libc.so.6 00002AE2C0C7D87F Unknown Unknown Unknown
libopen-pal.so.0 00002AE2C006FB0A Unknown Unknown Unknown
libopen-pal.so.0 00002AE2C006BDDB Unknown Unknown Unknown
libopen-pal.so.0 00002AE2C006C934 Unknown Unknown Unknown
libopen-pal.so.0 00002AE2C0066992 Unknown Unknown Unknown
libmpi.so.0 00002AE2BFC9C933 Unknown Unknown Unknown
libmpi.so.0 00002AE2BFC91D8B Unknown Unknown Unknown
libmpi.so.0 00002AE2BFCAC43D Unknown Unknown Unknown
libmpi.so.0 00002AE2BFBFF6A7 Unknown Unknown Unknown
libmpi.so.0 00002AE2BFC244A4 Unknown Unknown Unknown
libmpi_f77.so.0 00002AE2BFA9AC67 Unknown Unknown Unknown
sander.MPI 00000000004ED77E Unknown Unknown Unknown
sander.MPI 000000000043FE22 Unknown Unknown Unknown
libc.so.6 00002AE2C0BE2184 Unknown Unknown Unknown
sander.MPI 000000000043FD69 Unknown Unknown Unknown

Thank you for your help,

Susana

-----Original Message-----
From: amber-bounces_at_ambermd.org on behalf of Wei Zhang
Sent: Wed 4/8/2009 4:38 PM
To: AMBER Mailing List
Subject: Re: [AMBER] test/amoeba - forrtl: severe (64): input conversion error
 
Hi Susana,

     I cannot reproduce the problem here on my machine.

     Can you try to recompile your sander with gfortran and repeat the
test?

     Sincerely,

     Wei

On Apr 7, 2009, at 5:45 PM, Tomasio, Susana wrote:

> Thank you for your suggestion!
>
> I tried that: I run both scripts (Run.amoeba and Run.amoeba_sol),
> and used the respective created files
> in sander. It works for Run.amoeba but not Run.amoeba_sol.
>
> For the Run.amoeba_sol, using the created hpv files it gives that
> error:
> etRegFromUnwindContext: Can't get Gr0 from UnwindContext, using 0
> forrtl: severe (64): input conversion error, unit 8, file /users/
> msrgah/amber10/test/sleap/amoeba/test_hpv.prmtop
> Image PC Routine Line
> Source
> sander 4000000001132030 Unknown Unknown
> Unknown
> sander 400000000112D010 Unknown Unknown
> Unknown
> sander 40000000010B3550 Unknown Unknown
> Unknown
> sander 4000000001008AC0 Unknown Unknown
> Unknown
> sander 4000000001007EC0 Unknown Unknown
> Unknown
> sander 400000000104C160 Unknown Unknown
> Unknown
> sander 40000000001F3F00 Unknown Unknown
> Unknown
> sander 40000000001A53D0 Unknown Unknown
> Unknown
> sander 40000000001A09F0 Unknown Unknown
> Unknown
> sander 4000000000004590 Unknown Unknown
> Unknown
> libc.so.6.1 2000000001A66970 Unknown Unknown
> Unknown
> sander 40000000000043C0 Unknown Unknown
> Unknown
>
> Thank you for the help,
>
> Susana
>
> Yes, what you describe is supposed to work, and the reason for your
> failure needs to be tracked down.
>
> As Wei suggested, try running Run.amoeba_sol, and using the hpv
> files it
> creates in a sander run. Knowing whether or not that works should
> help
> narrow down the source of your problems.
>
> ...thx...dac
>
>
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