Can't run sander_classic with parallel machine

From: Khatcharin Siriwong <>
Date: Fri 23 Feb 2001 18:31:16 +0100

Dear Sir,

My machine is SGI IRIX6.5 mpich library, 10 processors.
I have compiled Amber6 with file "Machine.sgi_mpich".
When I tested program by "make test.sander", every thing has PASSED.

Note: I set ==> setenv DO_PARALLEL "mpirun -np 4 " before testing.

When I tested with "make test.sander_classic", a file "prowat/Run.plast"
has PASSED, while a file "dhfr/Run.dhfr.classic" could not be run.
I obtained message

        Bus error - core dumped
             program error

and not obtained any result in mdout and restrt files.

Moreover, I tried to run sander_classic with small DNA (the steps of
simulations were carried out following tutorial in amber web site).
The initial dynamics could be run. But when I turned on PME
(like dhfr/Run.dhfr.classic), I obtained the same message,
"Bus error - core dumped"

Could you please give me the suggestion?

Sincerely yours,
Khatchatin Siriwong
Received on Fri Feb 23 2001 - 09:31:16 PST
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