AMBER Archive (2006)

Subject: AMBER:a problem in parallel compiler

From: snowyowls (amberlist_at_gmail.com)
Date: Thu Apr 13 2006 - 03:15:09 CDT

dear all
i have compiler amber8 on a linux based claster
and the compiler finished without any error message
but when i run make test.sander
it failed with output here:

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
0 - MPI_COMM_RANK : Null communicator
[0] Aborting program !
[0] Aborting program!
p0_2419: p4_error: : 197
/export/mpiintel/bin/mpirun: line 1: 2419 Broken pipe
/home/faculty/jmj/Amber8/amber8/test/cytosine/../../e
xe/sander "-O" "-i" "in.md" "-c" "crd.md.23" "-o" "cytosine.out" -p4pg
/home/faculty/jmj/Amber8/amber8/test/cytosine/PI2
331 -p4wd /home/faculty/jmj/Amber8/amber8/test/cytosine
1 - MPI_COMM_RANK : Null communicator
[1] Aborting program !
[1] Aborting program!
p1_31866: p4_error: : 197
  ./Run.cytosine: Program error
make: *** [test.sander.no_lmod] Error 1

the system administrater told me there is something wrong with my opration
what's wrong?
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