Apologies if this is a FAQ.
I am trying to compile AMBER7 in a dual processor Linux machine
The operating system is GNU/LINUX
The hardware platform is i386
I have done the following steps:
Installed MPICH-1.2.6
Compiled AMBER7 after defining $AMBERHOME and $MPICH_HOME
Compilation was done without problem. But when I start to run the
sander test job (I defined
DO_PARALLEL="/home1/fac/pradipta/MPI/mpich-1.2.6/bin/mpirun -np 2")
I got the following error
--------------------------------------------------------------------------
cd dmp; ./Run.dmp
This test not set up for parallel
cannot run in parallel with #residues < #pes
cd adenine; ./Run.adenine
This test not set up for parallel
cannot run in parallel with #residues < #pes
==============================================================
cd cytosine; ./Run.cytosine
quantum: Connection refused
p0_14945: p4_error: Child process exited while making connection to
remote process on quantum: 0
/home1/fac/pradipta/MPI/mpich-1.2.6/bin/mpirun: line 1: 14945 Broken pipe
/home1/fac/pradipta/AMBER/amber7/test/cytosine/../../exe/sander
"-O" "-i" "in.md" "-c" "crd.md.23" "-o" "cytosine.out" -p4pg
/home1/fac/pradipta/AMBER/amber7/test/cytosine/PI14861 -p4wd
/home1/fac/pradipta/AMBER/amber7/test/cytosine
Program error
make: *** [test.sander] Error 1
----------------------------------------------------------------------
quantum is the name of the network node hostname - somehow two processors
can not communicate.
Can somebody please help me with this?
thanks,
Pradipta
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Received on Wed Feb 02 2005 - 12:53:02 PST
