AMBER Archive (2003)

Subject: AMBER: Amber parallelisation

From: arun prasad (parunprasad80_at_yahoo.co.in)
Date: Fri Aug 01 2003 - 04:15:05 CDT

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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