AMBER Archive (2003)

Subject: RE: AMBER: Amber parallelisation

From: Yong Duan (yduan_at_udel.edu)
Date: Fri Aug 01 2003 - 07:28:31 CDT

Sorry, your error message was included.

The error message indicates that your input file was missing. Check and
make sure they are there (or somewhere). This is typically done with the
command "ls" in Unix.

This is not related to compilation of the code. I am afraid even a
perfect machine file won't help you a bit.

yong

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Of arun prasad
Sent: Friday, August 01, 2003 5:15 AM
To: amber_at_scripps.edu
Subject: AMBER: Amber parallelisation

Respected sir ,
Iam trying amber6 parallelisation using linux
machines.i have used mpich-1.2.5.itried examples given
in mpich and some other programs they work fine.But
when i tried amber ,program i get a error.i have used
machine.g77_mpich machine file in which i added
setenv MPICH_HOME/home/mpi/mpich-1.2.5 where i have
created a user mpi from root.Also in
setenv MACHINEFLAGS"-DISTAR4 -DREGNML -DMPI
-DMPI_NATIVE -I/home/mpi/mpich-1.2.5/mpi/include"

when i tried to run a test sander program i get these
errors
/home/programs/amber6/test make test.sander .First few
tests pass sucessfully .Then i get the following
error
 Unit 5 Error on OPEN: single_w.in
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_4902: p4_error: : 1
w single_w_pme

  Unit 5 Error on OPEN: single_w_pme.in
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_4903: p4_error: : 1

  Unit 5 Error on OPEN: single_w_pme.in
[0] MPI Abort by user Aborting program !
[0] Aborting program!
p0_4904: p4_error: : 1
rm: No match.
make[1]: *** [single] Error 1
make[1]: Leaving directory `/home/mpi/amber6/test/CMC'
make: *** [CMC] Error 2

I have no promblem in running in one
machine(node0).Iam i making mistake in my machine file
i am not able to spot where iam i doing error.sir can
u please help me out to solve this promblem.thanking u
in advance -Arun Prasad

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