On Tue, Apr 13, 2004, Rohn Wood wrote:
> Compiling Amber with Machine.sgi_mpi results in a bad sander module
> (see errors below under PROBLEM). I have seen a few references to this
> problem on the list, but no clear resolution. The only solution that
> included a code modification was found at:
> http://amber.ch.ic.ac.uk/archive/200311/0194.html
> However, this fix did not work for me.
This sure _looks_ like the flush problem listed above, since your programs
(see below) are failing exactly in flush. Can you do the following:
1. post the exact change you made to $AMBERHOME/src/Machines/standard/sys.f
2. try commenting out the "call flush(lun)" statement in amflsh; that is,
just have the amflsh routine return without doing anything.
>
> MPI: --------stack traceback-------
> PC: 0x5ddb100 MPI_SGI_stacktraceback in /usr/lib32/libmpi.so
> PC: 0x5ddb544 first_arriver_handler in /usr/lib32/libmpi.so
> PC: 0x5ddb7d8 slave_sig_handler in /usr/lib32/libmpi.so
> PC: 0xfaee79c _sigtramp in /usr/lib32/libc.so.1
> PC: 0xa6ca7c0 flush_ in /usr/lib32/libfortran.so
> PC: 0x10164d6c amflsh in ../../exe/sander
> PC: 0x1000c150 sander in ../../exe/sander
> PC: 0xace9d74 main in /usr/lib32/libftn.so
If you prevent amflsh above from calling "flush", then at least you will
get different error :-) :-(
....hope this helps....dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Apr 14 2004 - 01:53:01 PDT
