AMBER: sanderparallel

From: gold gunaseelan <>
Date: 4 Aug 2003 07:32:48 -0000

respected sir
Iam able to run amber6 program sander_classic in parallel version
using mpich1.2.5 .but the program is using only 20 % of the cpu in
the master machine and 60 % in my slave machine.I am not able to
trace out the reason.Iam using 2 machines at present (2 nodes ;one
master and other slave).sir when i tried sander i get the
following error

$ mpirun -np 2 sander -O -i -o s.out -p -c
mdp1a.restart -r -ref mdp1a.restart
Segmentation fault
p0_2272: p4_error: Child process exited while making connection
to remote process on triplex: 0
(/home/mpi/mpich-1.2.5/bin/mpirun: line 1: 2272 Broken pipe
/home/mpi/amber6/exe/sander "-O" "-i" "" "-o" "s
..out" "-p" "" "-c" "mdp1a.restart" "-r" "" "-ref"
"mdp1a.restart" -p4pg /home/mpi/amber6/exe/PI2188 -p4wd
note:triplex is name of my node1(slave machine)
I kindly request ,lookforward to answer from anyone whg knows a
solution to this.-smith

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Received on Mon Aug 04 2003 - 08:53:01 PDT
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